2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine

C39H32ClF3N4 — CID 160579044

About 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine

2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine (PubChem CID 160579044) has the molecular formula C39H32ClF3N4 and a molecular weight of 649.16 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine
• PubChem CID: 160579044
• Molecular Formula: C39H32ClF3N4
• Molecular Weight: 649.16 g/mol
• Exact Mass: 648.23
• IUPAC Name: 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine
• SMILES: Cc1cccc(C)c1-c1cc(-c2ccc(F)nc2F)nc(C(C)(C)c2cc(-c3c(C)cccc3C)cc(-c3ccc(Cl)nc3F)n2)c1
• InChI: InChI=1S/C39H32ClF3N4/c1-21-9-7-10-22(2)35(21)25-17-29(27-13-15-33(40)46-37(27)42)44-31(19-25)39(5,6)32-20-26(36-23(3)11-8-12-24(36)4)18-30(45-32)28-14-16-34(41)47-38(28)43/h7-20H,1-6H3
• InChIKey: SXCASLKKLKQKPE-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.16
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine?

The IUPAC name of 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine (CID 160579044) is 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine.

What is the SMILES notation for 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine?

The canonical SMILES for 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine is Cc1cccc(C)c1-c1cc(-c2ccc(F)nc2F)nc(C(C)(C)c2cc(-c3c(C)cccc3C)cc(-c3ccc(Cl)nc3F)n2)c1.

What is the InChIKey of 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine?

The InChIKey is SXCASLKKLKQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32ClF3N4/c1-21-9-7-10-22(2)35(21)25-17-29(27-13-15-33(40)46-37(27)42)44-31(19-25)39(5,6)32-20-26(36-23(3)11-8-12-24(36)4)18-30(45-32)28-14-16-34(41)47-38(28)43/h7-20H,1-6H3.

What are the key properties of 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine?

2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine has a molecular weight of 649.16 g/mol, XLogP of 10.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-fluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]-4-(2,6-dimethylphenyl)pyridine is sourced from PubChem (CID 160579044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).