1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum

C26H22F2N3OPt- — CID 59399109

About 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum

1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum (PubChem CID 59399109) has the molecular formula C26H22F2N3OPt- and a molecular weight of 625.56 g/mol. Its IUPAC name is 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum.

Molecular Properties

• Compound Name: 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum
• PubChem CID: 59399109
• Molecular Formula: C26H22F2N3OPt-
• Molecular Weight: 625.56 g/mol
• Exact Mass: 625.14
• IUPAC Name: 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C(C)(O)c2ccccc2)n1.[Pt]
• InChI: InChI=1S/C26H22F2N3O.Pt/c1-25(2,20-12-7-11-19(29-20)18-15-16-23(27)31-24(18)28)21-13-8-14-22(30-21)26(3,32)17-9-5-4-6-10-17;/h4-14,16,32H,1-3H3;/q-1
• InChIKey: IHOOURQLGHDWRZ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.56
LogP ≤ 5	5.20
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': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum?

The IUPAC name of 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum (CID 59399109) is 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum.

What is the SMILES notation for 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum?

The canonical SMILES for 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum is CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C(C)(O)c2ccccc2)n1.[Pt].

What is the InChIKey of 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum?

The InChIKey is IHOOURQLGHDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N3O.Pt/c1-25(2,20-12-7-11-19(29-20)18-15-16-23(27)31-24(18)28)21-13-8-14-22(30-21)26(3,32)17-9-5-4-6-10-17;/h4-14,16,32H,1-3H3;/q-1;.

What are the key properties of 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum?

1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum has a molecular weight of 625.56 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol;platinum is sourced from PubChem (CID 59399109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).