2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

C159H144F6Ir11N11O2-11 — CID 161014109

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 161014109) has the molecular formula C159H144F6Ir11N11O2-11 and a molecular weight of 4469.35 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
• PubChem CID: 161014109
• Molecular Formula: C159H144F6Ir11N11O2-11
• Molecular Weight: 4469.35 g/mol
• Exact Mass: 4475.74
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
• SMILES: CC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C23H26N.C19H24N.C17H20N.C15H10N.C12H7F3N.2C12H10N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.11Ir/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;;;/h8-9,11-15,17-18H,2-7,10H2,1H3;8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-7,9-11H;1-4,6-8H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;;;/q11*-1
• InChIKey: FZTNHVRCEAAVFU-UHFFFAOYSA-N
• XLogP: 41.33
• TPSA: 179.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4469.35
LogP ≤ 5	41.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (CID 161014109) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is CC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The InChIKey is FZTNHVRCEAAVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N.C19H24N.C17H20N.C15H10N.C12H7F3N.2C12H10N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.11Ir/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;;;/h8-9,11-15,17-18H,2-7,10H2,1H3;8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-7,9-11H;1-4,6-8H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;;;/q11*-1;;;;;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 4469.35 g/mol, XLogP of 41.33, 31 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;undecakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161014109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).