4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid

C80H64F2Ir5N11O2-5 — CID 160755975

About 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid

4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid (PubChem CID 160755975) has the molecular formula C80H64F2Ir5N11O2-5 and a molecular weight of 2210.55 g/mol. Its IUPAC name is 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid
• PubChem CID: 160755975
• Molecular Formula: C80H64F2Ir5N11O2-5
• Molecular Weight: 2210.55 g/mol
• Exact Mass: 2213.34
• IUPAC Name: 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid
• SMILES: Cn1ccnc1-c1[c-]c(-c2ccccc2)ccc1.Cn1ccnc1-c1[c-]cc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1-c1ccccc1.Cn1cnc(-c2[c-]cc(F)cc2F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C16H13N2.C10H7F2N2.C6H5NO2.5Ir/c1-18-12-11-17-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;2*1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-18-12-11-17-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-14-5-10(13-6-14)8-3-2-7(11)4-9(8)12;8-6(9)5-3-1-2-4-7-5;;;;;/h2-9,11-12H,1H3;2-8,10-12H,1H3;2-11H,1H3;2-9,11-12H,1H3;2,4-6H,1H3;1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: YXISYFBOKRCIPT-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 139.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.55
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid?

The IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid (CID 160755975) is 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid.

What is the SMILES notation for 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid?

The canonical SMILES for 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid is Cn1ccnc1-c1[c-]c(-c2ccccc2)ccc1.Cn1ccnc1-c1[c-]cc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1-c1ccccc1.Cn1cnc(-c2[c-]cc(F)cc2F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid?

The InChIKey is YXISYFBOKRCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N2.C10H7F2N2.C6H5NO2.5Ir/c1-18-12-11-17-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;2*1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-18-12-11-17-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-14-5-10(13-6-14)8-3-2-7(11)4-9(8)12;8-6(9)5-3-1-2-4-7-5;;;;;/h2-9,11-12H,1H3;2-8,10-12H,1H3;2-11H,1H3;2-9,11-12H,1H3;2,4-6H,1H3;1-4H,(H,8,9);;;;;/q5*-1;;;;;;.

What are the key properties of 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid?

4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid has a molecular weight of 2210.55 g/mol, XLogP of 17.15, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 160755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).