2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid

C135H108F16Ir10N19O2-7 — CID 158288501

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid (PubChem CID 158288501) has the molecular formula C135H108F16Ir10N19O2-7 and a molecular weight of 4254.62 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid
• PubChem CID: 158288501
• Molecular Formula: C135H108F16Ir10N19O2-7
• Molecular Weight: 4254.62 g/mol
• Exact Mass: 4260.50
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid
• SMILES: CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cc(F)cc(F)c1-c1ccccn1.Cc1cc(N(C)C)cnc1-c1c(C)cc(F)cc1F.Cc1cccnc1-c1c(C)cc(F)cc1F.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)ccn2)c1F.[C-]#[N+]c1ccc(C)c(-c2cc(N(C)C)ccn2)c1.[C-]#[N+]c1ccc(C)c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]Nc2ccccc21
• InChI: InChI=1S/C15H16F2N2.C15H15N3.C14H10F2N3.C13H6F6N.C13H11F2N.2C13H10N2.C12H9F2N.C11H6F2N.C10H10N2.C6H5NO2.10Ir/c1-9-5-11(16)7-13(17)14(9)15-10(2)6-12(8-18-15)19(3)4;1-11-5-6-12(16-2)9-14(11)15-10-13(18(3)4)7-8-17-15;1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-8-4-3-5-16-13(8)12-9(2)6-10(14)7-11(12)15;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-10-6-7-11(14-2)9-12(10)13-5-3-4-8-15-13;1-8-6-9(13)7-10(14)12(8)11-4-2-3-5-15-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/h5-8H,1-4H3;5-10H,1,3-4H3;5-8H,2-3H3;1-5,7H;3-7H,1-2H3;1-6,8-10,14H;3-9H,1H3;2-7H,1H3;1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;/q;;2*-1;;-2;;;-1;-2
• InChIKey: GFTGQCQJTHKGBA-UHFFFAOYSA-N
• XLogP: 34.58
• TPSA: 197.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4254.62
LogP ≤ 5	34.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid (CID 158288501) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid is CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cc(F)cc(F)c1-c1ccccn1.Cc1cc(N(C)C)cnc1-c1c(C)cc(F)cc1F.Cc1cccnc1-c1c(C)cc(F)cc1F.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)ccn2)c1F.[C-]#[N+]c1ccc(C)c(-c2cc(N(C)C)ccn2)c1.[C-]#[N+]c1ccc(C)c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]Nc2ccccc21.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid?

The InChIKey is GFTGQCQJTHKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2.C15H15N3.C14H10F2N3.C13H6F6N.C13H11F2N.2C13H10N2.C12H9F2N.C11H6F2N.C10H10N2.C6H5NO2.10Ir/c1-9-5-11(16)7-13(17)14(9)15-10(2)6-12(8-18-15)19(3)4;1-11-5-6-12(16-2)9-14(11)15-10-13(18(3)4)7-8-17-15;1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-8-4-3-5-16-13(8)12-9(2)6-10(14)7-11(12)15;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-10-6-7-11(14-2)9-12(10)13-5-3-4-8-15-13;1-8-6-9(13)7-10(14)12(8)11-4-2-3-5-15-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/h5-8H,1-4H3;5-10H,1,3-4H3;5-8H,2-3H3;1-5,7H;3-7H,1-2H3;1-6,8-10,14H;3-9H,1H3;2-7H,1H3;1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;/q;;2*-1;;-2;;;-1;-2;;;;;;;;;;;.

What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid?

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid has a molecular weight of 4254.62 g/mol, XLogP of 34.58, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluoro-6-methylphenyl)-3-methylpyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;6-(2,4-difluoro-6-methylphenyl)-N,N,5-trimethylpyridin-3-amine;decakis(iridium);2-(5-isocyano-2-methylphenyl)-N,N-dimethylpyridin-4-amine;2-(5-isocyano-2-methylphenyl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid is sourced from PubChem (CID 158288501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).