2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid

C112H87F2Ir5N9O4-8 — CID 159424922

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid (PubChem CID 159424922) has the molecular formula C112H87F2Ir5N9O4-8 and a molecular weight of 2622.07 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid
• PubChem CID: 159424922
• Molecular Formula: C112H87F2Ir5N9O4-8
• Molecular Weight: 2622.07 g/mol
• Exact Mass: 2624.50
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid
• SMILES: CC(=O)CC(C)=O.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1cc[c-]c(-c2ccccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C17H12N.C16H12N.2C12H10N.C11H6F2N.3C11H8N.C6H5NO2.C5H8O2.5Ir/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;/h1-11,13H;2-7,9-11H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4,6-7H;3*1-6,8-9H;1-4H,(H,8,9);3H2,1-2H3;;;;;/q8*-1
• InChIKey: AQOMWCGZLPBJOZ-UHFFFAOYSA-N
• XLogP: 25.74
• TPSA: 187.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.07
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid (CID 159424922) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid is CC(=O)CC(C)=O.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1cc[c-]c(-c2ccccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid?

The InChIKey is AQOMWCGZLPBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N.C16H12N.2C12H10N.C11H6F2N.3C11H8N.C6H5NO2.C5H8O2.5Ir/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;/h1-11,13H;2-7,9-11H,1H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4,6-7H;3*1-6,8-9H;1-4H,(H,8,9);3H2,1-2H3;;;;;/q8*-1;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid has a molecular weight of 2622.07 g/mol, XLogP of 25.74, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid is sourced from PubChem (CID 159424922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).