3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine

C26H22F4N4 — CID 140602566

About 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine

3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine (PubChem CID 140602566) has the molecular formula C26H22F4N4 and a molecular weight of 466.48 g/mol. Its IUPAC name is 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine.

Molecular Properties

• Compound Name: 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
• PubChem CID: 140602566
• Molecular Formula: C26H22F4N4
• Molecular Weight: 466.48 g/mol
• Exact Mass: 466.18
• IUPAC Name: 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
• SMILES: CCCCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(-c2ccc(F)nc2F)n1
• InChI: InChI=1S/C26H22F4N4/c1-3-4-15-26(2,20-9-5-7-18(31-20)16-11-13-22(27)33-24(16)29)21-10-6-8-19(32-21)17-12-14-23(28)34-25(17)30/h5-14H,3-4,15H2,1-2H3
• InChIKey: OTVQJJMAURBDGO-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.48
LogP ≤ 5	6.65
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 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?

The IUPAC name of 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine (CID 140602566) is 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine.

What is the SMILES notation for 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?

The canonical SMILES for 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine is CCCCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(-c2ccc(F)nc2F)n1.

What is the InChIKey of 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?

The InChIKey is OTVQJJMAURBDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4/c1-3-4-15-26(2,20-9-5-7-18(31-20)16-11-13-22(27)33-24(16)29)21-10-6-8-19(32-21)17-12-14-23(28)34-25(17)30/h5-14H,3-4,15H2,1-2H3.

What are the key properties of 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?

3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine has a molecular weight of 466.48 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine is sourced from PubChem (CID 140602566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).