(Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol

C26H21F2N3O — CID 59399213

About (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol

(Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol (PubChem CID 59399213) has the molecular formula C26H21F2N3O and a molecular weight of 429.47 g/mol. Its IUPAC name is (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol.

Molecular Properties

• Compound Name: (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol
• PubChem CID: 59399213
• Molecular Formula: C26H21F2N3O
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.17
• IUPAC Name: (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol
• SMILES: CC(C)(c1cccc(/C(O)=C/c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1
• InChI: InChI=1S/C26H21F2N3O/c1-26(2,22-12-6-10-19(29-22)18-14-15-24(27)31-25(18)28)23-13-7-11-20(30-23)21(32)16-17-8-4-3-5-9-17/h3-16,32H,1-2H3/b21-16-
• InChIKey: GTWDPJGSGDJZDX-PGMHBOJBSA-N
• XLogP: 6.20
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol?

The IUPAC name of (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol (CID 59399213) is (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol.

What is the SMILES notation for (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol?

The canonical SMILES for (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol is CC(C)(c1cccc(/C(O)=C/c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1.

What is the InChIKey of (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol?

The InChIKey is GTWDPJGSGDJZDX-PGMHBOJBSA-N. The full InChI is InChI=1S/C26H21F2N3O/c1-26(2,22-12-6-10-19(29-22)18-14-15-24(27)31-25(18)28)23-13-7-11-20(30-23)21(32)16-17-8-4-3-5-9-17/h3-16,32H,1-2H3/b21-16-.

What are the key properties of (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol?

(Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol has a molecular weight of 429.47 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol is sourced from PubChem (CID 59399213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).