2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C179H150F7Ir8N17O2OsP2Pt-6 — CID 158520260

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[Pt+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H18F4N2.C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os.Pt/c36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;;/h1-16,19-20H;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;;/q-2;10*-1;;;;;;;;;;;;2*+2/p+2
InChIKeyTVWBLDKKDVLAAT-UHFFFAOYSA-P
MW4689.26 g/mol
LogP41.55
Rot. Bonds18

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158520260) has the molecular formula C179H150F7Ir8N17O2OsP2Pt-6 and a molecular weight of 4689.26 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158520260
Molecular FormulaC179H150F7Ir8N17O2OsP2Pt-6
Molecular Weight4689.26 g/mol
Exact Mass4694.79
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[Pt+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H18F4N2.C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os.Pt/c36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;;/h1-16,19-20H;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;;/q-2;10*-1;;;;;;;;;;;;2*+2/p+2
InChIKeyTVWBLDKKDVLAAT-UHFFFAOYSA-P
XLogP41.55
TPSA250.89 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004689.26
LogP ≤ 541.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158520260) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[Pt+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is TVWBLDKKDVLAAT-UHFFFAOYSA-P. The full InChI is InChI=1S/C35H18F4N2.C19H13N2.3C13H12N.3C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.8Ir.Os.Pt/c36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;;;;;/h1-16,19-20H;1-9,11-14H;3-4,6-9H,1-2H3;2*3-6,8-9H,1-2H3;2*2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;;;;;/q-2;10*-1;;;;;;;;;;;;2*+2/p+2.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 4689.26 g/mol, XLogP of 41.55, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158520260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).