2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid

C88H70F6Ir6N8O6-6 — CID 159026966

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid (PubChem CID 159026966) has the molecular formula C88H70F6Ir6N8O6-6 and a molecular weight of 2602.87 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid
• PubChem CID: 159026966
• Molecular Formula: C88H70F6Ir6N8O6-6
• Molecular Weight: 2602.87 g/mol
• Exact Mass: 2606.31
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C17H12N.C12H8F2N.C12H10N.2C11H6F2N.C9H7N2.C6H5NO2.2C5H8O2.6Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-5-9(6-3-1)11-8-4-7-10-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;/h1-9,11-13H;2,4-7H,1H3;2-7,9H,1H3;2*1-4,6-7H;1-5,7-8H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;/q6*-1
• InChIKey: BKDDXNGWPXFJET-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 207.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2602.87
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid (CID 159026966) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid?

The InChIKey is BKDDXNGWPXFJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N.C12H8F2N.C12H10N.2C11H6F2N.C9H7N2.C6H5NO2.2C5H8O2.6Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-5-9(6-3-1)11-8-4-7-10-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;/h1-9,11-13H;2,4-7H,1H3;2-7,9H,1H3;2*1-4,6-7H;1-5,7-8H;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;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid has a molecular weight of 2602.87 g/mol, XLogP of 20.37, 10 rotatable bonds, 3 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)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);hexakis(iridium);3-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylpyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 159026966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).