2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C32H20F8IrN6-4 — CID 146899291

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 146899291) has the molecular formula C32H20F8IrN6-4 and a molecular weight of 832.75 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 146899291
• Molecular Formula: C32H20F8IrN6-4
• Molecular Weight: 832.75 g/mol
• Exact Mass: 833.13
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1cc(-c2[c-]cc(F)cc2F)nc(N2C=CN(C)[CH-]2)c1.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir]
• InChI: InChI=1S/C16H7F6N3.C16H13F2N3.Ir/c17-15(18,19)10-6-4-9(5-7-10)11-2-1-3-12(23-11)13-8-14(25-24-13)16(20,21)22;1-11-7-15(13-4-3-12(17)9-14(13)18)19-16(8-11)21-6-5-20(2)10-21;/h1-4,6-8H;3,5-10H,1-2H3;/q2*-2
• InChIKey: NXMAQTUGFMBYGE-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 59.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.75
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 146899291) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2[c-]cc(F)cc2F)nc(N2C=CN(C)[CH-]2)c1.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is NXMAQTUGFMBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F6N3.C16H13F2N3.Ir/c17-15(18,19)10-6-4-9(5-7-10)11-2-1-3-12(23-11)13-8-14(25-24-13)16(20,21)22;1-11-7-15(13-4-3-12(17)9-14(13)18)19-16(8-11)21-6-5-20(2)10-21;/h1-4,6-8H;3,5-10H,1-2H3;/q2*-2;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 832.75 g/mol, XLogP of 8.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methyl-6-(3-methyl-2H-imidazol-2-id-1-yl)pyridine;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 146899291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).