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

C141H97F17Ir11N21O2-13 — CID 159832794

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid (PubChem CID 159832794) has the molecular formula C141H97F17Ir11N21O2-13 and a molecular weight of 4554.82 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid
• PubChem CID: 159832794
• Molecular Formula: C141H97F17Ir11N21O2-13
• Molecular Weight: 4554.82 g/mol
• Exact Mass: 4561.39
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid
• SMILES: CN(C)c1ccc(-c2[c-]cc(F)cc2F)nc1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cccnc1-c1[c-]cc(F)cc1F.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(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+]c1cc(-c2ccccn2)[c-]cc1F.[C-]#[N+]c1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[C-]#[N+]c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]Nc2ccccc21
• InChI: InChI=1S/C14H10F2N3.C14H12N3.C13H6F6N.C13H11F2N2.C13H10N2.C12H8F2N.C12H6FN2.C12H7N2.2C11H6F2N.C10H10N2.C6H5NO2.11Ir/c1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;1-15-12-6-4-5-11(9-12)14-10-13(17(2)3)7-8-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-17(2)10-4-6-13(16-8-10)11-5-3-9(14)7-12(11)15;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-8-3-2-6-15-12(8)10-5-4-9(13)7-11(10)14;1-14-12-8-9(5-6-10(12)13)11-4-2-3-7-15-11;1-13-11-6-4-5-10(9-11)12-7-2-3-8-14-12;2*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,2-3H3;4,6-10H,2-3H3;1-5,7H;3-4,6-8H,1-2H3;1-6,8-10,14H;2-4,6-7H,1H3;2-4,6-8H;2-4,6-9H;2*1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;;/q4*-1;-2;5*-1;-2
• InChIKey: MVFDGFDFPQEJTB-UHFFFAOYSA-N
• XLogP: 34.97
• TPSA: 215.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4554.82
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid (CID 159832794) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid is CN(C)c1ccc(-c2[c-]cc(F)cc2F)nc1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cccnc1-c1[c-]cc(F)cc1F.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(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+]c1cc(-c2ccccn2)[c-]cc1F.[C-]#[N+]c1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[C-]#[N+]c1cc[c-]c(-c2ccccn2)c1.[Ir].[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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid?

The InChIKey is MVFDGFDFPQEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N3.C14H12N3.C13H6F6N.C13H11F2N2.C13H10N2.C12H8F2N.C12H6FN2.C12H7N2.2C11H6F2N.C10H10N2.C6H5NO2.11Ir/c1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;1-15-12-6-4-5-11(9-12)14-10-13(17(2)3)7-8-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-17(2)10-4-6-13(16-8-10)11-5-3-9(14)7-12(11)15;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-8-3-2-6-15-12(8)10-5-4-9(13)7-11(10)14;1-14-12-8-9(5-6-10(12)13)11-4-2-3-7-15-11;1-13-11-6-4-5-10(9-11)12-7-2-3-8-14-12;2*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,2-3H3;4,6-10H,2-3H3;1-5,7H;3-4,6-8H,1-2H3;1-6,8-10,14H;2-4,6-7H,1H3;2-4,6-8H;2-4,6-9H;2*1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;;/q4*-1;-2;5*-1;-2;;;;;;;;;;;;.

What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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 4554.82 g/mol, XLogP of 34.97, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(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-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;undecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(3-isocyanobenzene-6-id-1-yl)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 159832794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).