2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid

C100H85F6Ir6N9O6-6 — CID 160672312

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid (PubChem CID 160672312) has the molecular formula C100H85F6Ir6N9O6-6 and a molecular weight of 2776.13 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid
• PubChem CID: 160672312
• Molecular Formula: C100H85F6Ir6N9O6-6
• Molecular Weight: 2776.13 g/mol
• Exact Mass: 2779.43
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C22H15N2.C13H9F3N.C13H12FN2.C12H8F2N.2C12H10N.C6H5NO2.2C5H8O2.6Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;/h1-12,14-16H;2-7H,1H3;3,5-9H,1-2H3;2,4-7H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;/q6*-1
• InChIKey: NBOVDZRHZGRYIE-UHFFFAOYSA-N
• XLogP: 23.60
• TPSA: 218.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2776.13
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid (CID 160672312) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid?

The InChIKey is NBOVDZRHZGRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C13H9F3N.C13H12FN2.C12H8F2N.2C12H10N.C6H5NO2.2C5H8O2.6Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;/h1-12,14-16H;2-7H,1H3;3,5-9H,1-2H3;2,4-7H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid has a molecular weight of 2776.13 g/mol, XLogP of 23.60, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 160672312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).