Final Thoughts on Chemistry for 2-Hydrazinylpyridine

Related Products of 4930-98-7, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 4930-98-7 is helpful to your research.

Related Products of 4930-98-7, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 4930-98-7, Name is 2-Hydrazinylpyridine, SMILES is NNC1=NC=CC=C1, belongs to pyridine-derivatives compound. In a article, author is Kuthyala, Sharanya, introduce new discover of the category.

Towards the Synthesis of Imidazopyridine Derivatives: Characterization, Single Crystal XRD, Hirshfeld Analysis, and Biological Evaluation

This study explores the synthesis of different imidazopyridine derivatives, their characterization, single crystal x-ray diffraction, molecular Hirshfeld surface analysis along with their anticancer and other supportive biological evaluations. X-ray crystallography study resolved the crystal structure of 2,7-dimethyl-N-(1,3-dioxoisoindolin-2-yl)H-imidazo[1,2-a]pyridine-3-carboxamide (2 a) as monoclinic crystal system (space group P2(1)/n). Graphical tool, Hirshfeld surface analysis quantified the major contribution of H…H, O…H, and C…H interactions towards the HS. Among the synthesized compounds, 2-(4-(4-fluorophenyl)-5-(2,8-dimethylH-imidazo[1,2-a]pyridin-3-yl)-4H-1,2,4-triazol-3-ylthio)-N-(4-fluorophenyl)acetamide (5 a) exhibited the highest cytotoxicity against lung adenocarcinoma with IC50 value of 43.04 mu M. Selective action of 5 a was assured by cell death analysis using AO-EB assay. In addition, the study was also supported by molecular docking studies. Together the study revealed, the compound 5 a, to be a likely candidate for further exploratory study in cancer treatment.

Related Products of 4930-98-7, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 4930-98-7 is helpful to your research.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Discovery of C17H16N2O2

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 189005-44-5 help many people in the next few years. Computed Properties of C17H16N2O2.

Let’s face it, organic chemistry can seem difficult to learn. Especially from a beginner’s point of view. Like 189005-44-5, Name is 6-Methyl-2-(4-methylphenyl)imidazol[1,2-a]pyridine-3-acetic acid. In a document, author is Ma, Jing-xin, introducing its new discovery. Computed Properties of C17H16N2O2.

Construction of Transition Metal Coordination Polymers with Free Carboxyl Groups and Turn-On Fluorescent Detection for alpha,beta-Diamine

In this work, three new coordination polymers with a free carboxyl group, [Zn-4(HIDCPy)4(DMSO)(DMF)3]n (1), [Cu(HIDCPyO)(DMSO)]n (2), and {[Cd4(HIDCPy)6].4DMF.4C2H8N.H2O}n (3) (H2IDCPy = 2-(pyridine-2-yl)-1H-imidazole-4,5-dicarboxylic acid), had been successfully constructed by fine conditions control. Owing to the good fluorescence performance of 1, we explored the complex as a fluorescence sensor for alkaline matters, such as ammonia and amines. The test of selectivity showed that only a,Bdiamine, ethylenediamine (En) and 1,2propylenediamine (1,2-PDA), could greatly sensitize the fluorescence of 1. The fluorescence titration showed the detection limits of 1 were 3.93 ppm for En and 3.21 ppm for 1,2-PDA, respectively. Moreover, the competing and circulating experiments indicated that 1 had satisfactory anti-interference and recyclability toward En and 1,2-PDA sensing. All of these results implied 1 should be a potential turn-on fluorescent probe for detecting alpha,betadiamine, and the sensing mechanism had also been in-depth elaborated. At the same time, as the control experiments, the fluorescence sensing of 3 toward ammonia and amines was carried out. The results showed that alpha,betadiamine and other amines could also sensitize the fluorescent emission of 3, but there was a significant gap with 1 in the selectivity and sensitivity.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 189005-44-5 help many people in the next few years. Computed Properties of C17H16N2O2.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Interesting scientific research on C5H5NO2

If you’re interested in learning more about 13161-30-3. The above is the message from the blog manager. COA of Formula: C5H5NO2.

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, COA of Formula: C5H5NO2, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 13161-30-3, Name is 2-Pyridinol-1-oxide, molecular formula is C5H5NO2. In an article, author is Mravec, Bernard,once mentioned of 13161-30-3.

Structural and Spectroscopic Properties of Benzoylpyridine-Based Hydrazones

Photochromic hydrazones are attracting the attention in the field of photochromic systems especially due to their P-type character. To understand the structural features and their correlation with the spectroscopic data, UV-Vis, vibrational and ellipsometry spectroscopic techniques are employed with the support of density functional theory (DFT) calculations to three hydrazone derivatives based on benzoylpyridine. Interestingly, analysis of the structure shows the presence of two distinct rotamers around the pyridine ring with different energy and the well-defined conjugation path that changes due to E to Z isomerization especially in the hydrazone -C=N-NH part of the skeleton. IR and Raman spectra are analyzed, showing a higher selectivity in the Z form; moreover, the comparison with the normal modes proves the effect of the reaction on the backbone structure. The experimental results are in good agreement with the theoretical predictions, especially in the case of the Raman spectrum. The molecular polarization also changes from E to Z forms as predicted by DFT calculations. Spectroscopic ellipsometry on thin films of TOPAS doped with 10 %wt of the dimethylamino hydrazone derivative is used to prove such change at the molecular level. A modulation of the refractive index is observed, and it is correlated with the concentration of the active moiety and the calculated electronic polarizabilities.

If you’re interested in learning more about 13161-30-3. The above is the message from the blog manager. COA of Formula: C5H5NO2.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Final Thoughts on Chemistry for 91-02-1

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 91-02-1. Recommanded Product: 91-02-1.

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Recommanded Product: 91-02-191-02-1, Name is Phenyl(pyridin-2-yl)methanone, SMILES is O=C(C1=CC=CC=C1)C2=NC=CC=C2, belongs to pyridine-derivatives compound. In a article, author is Kilfoil, Peter J., introduce new discover of the category.

Metabolic regulation of Kv channels and cardiac repolarization by Kv beta 2 subunits

Voltage-gated potassium (Kv) channels control myocardial repolarization. Pore-forming Kv alpha proteins associate with intracellular Kv beta subunits, which bind pyridine nucleotides with high affinity and differentially regulate channel trafficking, plasmalemmal localization and gating properties. Nevertheless, it is unclear how Kv beta subunits regulate myocardial K+ currents and repolarization. Here, we tested the hypothesis that Kv beta 2 subunits regulate the expression of myocardial Kv channels and confer redox sensitivity to Kv current and cardiac repolarization. Co-immunoprecipitation and in situ proximity ligation showed that in cardiac myocytes, Kv beta 2 interacts with Kv1.4, Kv1.5, Kv4.2, and Kv4.3. Cardiac myocytes from mice lacking Kcnab2 (Kv beta 2(-/-)) had smaller cross sectional areas, reduced sarcolemmal abundance of Kv alpha binding partners, reduced I-to, I-K,I-slow1, and I-K,I-slow2 densities, and prolonged action potential duration compared with myocytes from wild type mice. These differences in Kv beta 2(-/-) mice were associated with greater P wave duration and QT interval in electrocardiograms, and lower ejection fraction, fractional shortening, and left ventricular mass in echocardiographic and morphological assessments. Direct intracellular dialysis with a high NAD(P)H:NAD(P)(+) accelerated Kv inactivation in wild type, but not Kv beta 2(-/-) myocytes. Furthermore, elevated extracellular levels of lactate increased [NADH](i) and prolonged action potential duration in wild type cardiac myocytes and perfused wild type, but not Kv beta 2(-/-), hearts. Taken together, these results suggest that Kv beta 2 regulates myocardial electrical activity by supporting the functional expression of proteins that generate I-to and I-K,I-slow, and imparting redox and metabolic sensitivity to Kv channels, thereby coupling cardiac repolarization to myocyte metabolism.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 91-02-1. Recommanded Product: 91-02-1.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Never Underestimate The Influence Of 1195-59-1

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 1195-59-1 help many people in the next few years. Formula: C7H9NO2.

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 1195-59-1, Name is 2,6-Pyridinedimethanol, formurla is C7H9NO2. In a document, author is Dey, Sunanda, introducing its new discovery. Formula: C7H9NO2.

The oxidative dehydrogenation of a coumarinyl scaffold with copper ion and metal ion detection in human liver cancer cells (HepG2)

An unsymmetrical o-phenylenediamine derivative, L (7-hydroxy-4-methyl-8-(1-(phenyl- (pyridin-2-yl)methyl)-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one), has been synthesized from (E)-N-1-(phenyl(pyridine-2-yl)methylene)benzene-1,2-diamine with 7-hydroxy-4-methyl-2-oxo-2H-chromene-8-carbaldehyde and characterized by X-ray, IR, H-1 NMR and ESI-MS spectral analyses. The X-ray structure shows L as a cyclic benzimidazole derivative, but it undergoes ring-opening upon reaction with transition metal ions. L is non-emissive in 9:1 (v/v) EtOH/H2O (HEPES buffer, pH 7.4) but becomes highly fluorescent upon Zn2+ coordination, and the emissive Zn(ii) complex undergoes transmetallation in the presence of Cu2+ ions specifically, followed by amine to imine oxidation, i.e. an oxidative dehydrogenation (OD) reaction -(2e + 2H(+)) occurs. The transmetallation of Zn2+ from the complex by Cu2+ (CuCl2) separated the non-emissive X-ray diffractable crystal of [Cu(L)Cl] (L = amine oxidized form of L). A square pyramidal [Cu(L)][ClO4] complex was also isolated from the reaction of L with Cu(CH3CN)(4)(ClO4) in the presence of air, and in this complex the amine is also oxidized to the imine. Here, copper ions in the presence of air play an important role in the OD reaction of L as determined by EPR and cyclic voltammetry studies. The ligand, L, is used for Zn2+ ion recovery from a municipally supplied water sample. A paper strip detection kit for Zn2+ and Cu2+ is designed using L. The ligand is also used for intracellular Zn2+ detection in a human liver cancer cell line (HepG2).

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 1195-59-1 help many people in the next few years. Formula: C7H9NO2.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

A new application about 325855-74-1

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 325855-74-1, you can contact me at any time and look forward to more communication. SDS of cas: 325855-74-1.

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 325855-74-1, Name is 5-Chloro-6′-methyl-3-(4-(methylsulfonyl)phenyl)-[2,3′-bipyridine] 1′-oxide, SMILES is O=S(C1=CC=C(C2=CC(Cl)=CN=C2C3=C[N+]([O-])=C(C)C=C3)C=C1)(C)=O, in an article , author is Rezaeivala, Majid, once mentioned of 325855-74-1, SDS of cas: 325855-74-1.

Synthesis, characterization, and cytotoxic activity studies of new N4O complexes derived from 2-({3-[2-morpholinoethylamino]-N3-([pyridine-2-yl]methyl) propylimino} methyl)phenol

A new unsymmetrical five-coordinate Schiff base ligand (HL) with an N4O donor set (2) has been prepared by condensation of N1-(2-morpholinoethyl)-N1-([pyridine-2-yl]methyl)propane-1,3-diamine with 2-hydroxy-benzaldehyde. Metal complexes [ML](n+) (M = Zn2+, Cd2+, Mn2+, Cu2+, Ni2+, Ag+, Fe3+, and Co2+ (3-10) were synthesized by the reaction of the ligand and metal salts in ethanol. The resulting products were characterized by elemental analyses, infrared, H-1 and C-13 nuclear magnetic resonance spectra (in the case of Cd and Zn complexes), UV-Vis, electrospray ionization-mass spectrometric, and conductivity measurements. The structure of the complexes [ZnL](ClO4) (3), [CdL](ClO4) (4), and [CuL](ClO4) (7) has been determined by single-crystal X-ray diffraction analysis. The metal complexes were determined to have a distorted trigonal bipyramidal (Zn and Cd) or a distorted square pyramidal (Cu) geometry. The cytotoxic potential of each compound (1-10) against MCF-7 and MDA-MB-231 (breast cancer cells), PC-3 (prostate cancer cells), and WI-38 human normal lung fibroblast cells was evaluated using the MTT (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide) assay. Compounds 1, 2, and 10 did not display any activity toward any cell line tested. None of the compounds except compound 8 was cytotoxic toward PC-3. Compounds 4 and 8 showed the highest cytotoxic activity against the MCF-7 and MDA-MB-231 cell lines. Because compounds 3, 6, and 9 have similar half-maximal inhibitory concentration values against cancer cells and normal cells, these compounds displayed poor selectivity between cancer and normal cells. More importantly, it was observed that compound 5 acts differently toward different types of cell lines. For example, it displays lower cytotoxicity against the WI-38 normal cell line than it does against the MDA-MB-231 cell line.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 325855-74-1, you can contact me at any time and look forward to more communication. SDS of cas: 325855-74-1.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Brief introduction of 145100-51-2

If you are interested in 145100-51-2, you can contact me at any time and look forward to more communication. SDS of cas: 145100-51-2.

In an article, author is Barut, Burak, once mentioned the application of 145100-51-2, SDS of cas: 145100-51-2, Name is 2-[N,N-Bis(Trifluoromethylsulphonyl)amino]-5-chloropyridine, molecular formula is C7H3ClF6N2O4S2, molecular weight is 392.6831, MDL number is MFCD00191833, category is pyridine-derivatives. Now introduce a scientific discovery about this category.

The water soluble Zn(II) and Mg(II) phthalocyanines: Synthesis, photochemical, DNA photodamage and PDT effects against A549 cells

In this study, the phthalonitrile compound 4-(thieno[3,2-b]pyridin-7-yloxy] phthalonitrile (3), it’s peripherally tetra substituted zinc(II) (4) and magnesium(II) (5) phthalocyanines and their water-soluble derivatives (ZnPcQ) and (MgPcQ) were synthesized. The compounds were characterized with a combination of various spectroscopic techniques. The singlet oxygen quantum yields of ZnPcQ and MgPcQ were determined as 0.59 and 0.36. Their DNA nuclease, photodamage and oxidative photodamage experiments were investigated using agarose gel electrophoresis on supercoiled plasmid pBR322 DNA. The PDT effects of the compounds were investigated using MTT assay toward A549 cells. ZnPcQ and MgPcQ did not have damage effects on supercoiled plasmid pBR322 DNA without irradiation whereas ZnPcQ showed significant photodamage and oxidative photodamage effects upon irradiation. The photodamage mechanism experiments showed that singlet oxygen had a crucial role in the photodamage pathway. MgPcQ did not show considerable cytotoxic and phototoxic effects on A549 cell for 24 h. On the other hand, the cell viability of A549 was 69 +/- 2.70 % at 10 mu M without irradiation in the presence of ZnPcQ. A549 cells treated with 5 and 10 mu M of ZnPcQ upon irradiation, A549 presented 75 +/- 5.90 % and 44 +/- 7.0 % of viabilities, respectively. These results suggested that ZnPcQ is a promising candidate for PDT and worthy of further research.

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Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Awesome Chemistry Experiments For 5-Nitro-3-(trifluoromethyl)pyridin-2-ol

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 99368-66-8. SDS of cas: 99368-66-8.

Chemistry, like all the natural sciences, SDS of cas: 99368-66-8, begins with the direct observation of nature— in this case, of matter.99368-66-8, Name is 5-Nitro-3-(trifluoromethyl)pyridin-2-ol, SMILES is FC(C1=CC([N+]([O-])=O)=CN=C1O)(F)F, belongs to pyridine-derivatives compound. In a document, author is Ouannassi, F., introduce the new discover.

Structural, spectral and thermal properties of a supramolecular assembly based on p-phenylenediamine and trichloroacetic acid: A combined experimental and computational study

Single-crystals of the p-phenylenediammonium bis(trichloroacetate) sesquihydrate compound (I) have been grown by slow evaporation method. XRD study showed the presence of two symmetrically independent water sites; one water site is fully occupied while the other one shows partial occupancy (0.5). The new compound has been characterized by FT-IR, Raman and UV-visible spectroscopies. Thermal behavior of (I) has been studied by TGA/DSC analysis. In the structure of (I), the coherence of the 3-D supramolecular assembly is ensured by conventional hydrogen bonds (O-H center dot center dot center dot O and N-H center dot center dot center dot O) and C-Cl center dot center dot center dot pi interactions. Nature and contribution of the different intermolecular interactions that occur in compound (I) were probed through the 3-D Hirshfeld surface and the associated 2-D fingerprint plots. O center dot center dot center dot H/H center dot center dot center dot O interactions (related to the H-bonds) contribute by 30.5% to the total Hirshfeld surface; furthermore, contacts involving chlorine atoms represent ca. 54% of the total surface. Quantum chemical study performed with DFT (B3LYP and HSEH1PBE) methods at 6-311G(++)(d.p) level has permitted calculation of optimized geometry, modes of vibrations, atomic charges, thermodynamic parameters, FMOs and NBOs of the title molecule. The detailed vibrational interpretation has been evaluated by potential energy distribution (PED) analysis. The UV-Vis spectrum has been calculated by TD-DFT/B3LYP/6-311G(++)(d,p) method in two solvents (water and methanol). (C) 2020 Elsevier B.V. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 99368-66-8. SDS of cas: 99368-66-8.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

New learning discoveries about C6H8N2

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 695-34-1. SDS of cas: 695-34-1.

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 695-34-1, Name is 4-Methylpyridin-2-amine, molecular formula is C6H8N2, belongs to pyridine-derivatives compound. In a document, author is Torralvo, Hector, introduce the new discover, SDS of cas: 695-34-1.

Pyridine- and Quinoline-Derived Imines as N,N-Bidentate Directing Groups in Palladium versus Platinum C-H Bond Activation Reactions

The C-H activation by Pd(II) and Pt(II) compounds of a wide range of imines related to 2-pyridinecarboxaldehyde, ArCH=NCH2(CH2)(n)Ph (Ar = 2-pyridinyl, 2-picolinyl, 2-quinolinyl, n = 0, 1), which can be useful for bond functionalization assisted by bidentate directing groups, has been studied. The results indicate that the presence of two methyl groups at the alpha-carbon, relative to the imine nitrogen atom, facilitates the metalation. The heterocyclic fragment of the chelating ligand also shows a relevant influence on the full process, the cyclometalated compounds being more easily formed for the 2-picolinyl than for the 2-quinolinyl derivatives, while for the 2-pyridinyl derivatives the reaction is less favored. These effects have been found to be determinant for both palladium and platinum compounds. The preparative results can be explained by a steric enhancement of the metalation process, the reaction being strongly favored when bulky substituents are located in the proximity (alpha-carbon) of the coordinating nitrogen atoms (with both palladium and platinum). Furthermore, surprisingly the formation of six-membered platinacycles is especially favored. The kinetico-mechanistic studies of the C-H activation reaction, on some equivalent Pd(II) and Pt(II) coordination complexes of the family, have shown that the nature of the d(8) metal center plays a determinant role in the reactivity observed. In this respect, the Pt(II) square-planar center has been found to be much more involved in the energetics of the reaction than the Pd(II) equivalent. The full process can be seen as a mechanistic continuum that goes from an electrophilic substitution (Pd(II) centers) to an oxidative addition/reductive elimination sequence (Pt(II) centers). The observation is directly associated with the fact that the Pt(II) center is prone to the existence of oxidatively added Pt(IV) hydrido complexes.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 695-34-1. SDS of cas: 695-34-1.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Simple exploration of 766-11-0

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 766-11-0 help many people in the next few years. Computed Properties of C5H3BrFN.

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 766-11-0, Name is 5-Bromo-2-fluoropyridine, formurla is C5H3BrFN. In a document, author is Hussein, Essam M., introducing its new discovery. Computed Properties of C5H3BrFN.

Exploiting a multicomponent domino reaction strategy for the tailoring of versatile environmentally sensitive fluorophore-based nicotinonitriles incorporating pyrene and fluorene moieties

A simplistic and highly effective protocol for the synthesis of a new class of poly-functionalized innovative nicotinonitriles incorporating pyrene and/or fluorene moieties has been developed through the domino four-component condensation reaction of 1-(pyren-1-yl)ethanone/1-(9H-fluoren-2-yl)ethanone, numerous aromatic aldehydes, and 3-oxo-3-(pyren-1-yl)propanenitrile/3-(9H-fluoren-2-yl)-3-oxopropanenitrile and ammonium acetate in acetic acid as a reaction medium. The advantages of this approach are the short reaction time, excellent yield, and the easy experimental workup that affords substrate diversity and operative competence under metal-free reaction conditions for the formation of C-C and C-N bonds. The substituent effects on the photophysical property-based absorption and the emission of the synthesized compounds in dichloromethane have been well-investigated. Strong absorption quenching of around 100 nm was observed when substitution of the benzene ring at the C-4-position of the pyridine moiety occurred with an electron-donating (-N(CH3)(2)) group. All of the newly synthesized nicotinonitrile derivatives showed strong blue-green fluorescence emission with maxima in the range between 420-630 nm. These highly pronounced emission spectra will help this family of compounds to find application in many areas and the field of materials science.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 766-11-0 help many people in the next few years. Computed Properties of C5H3BrFN.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem