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

C19H16F2N3OPt- — CID 59399259

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

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum (PubChem CID 59399259) has the molecular formula C19H16F2N3OPt- and a molecular weight of 535.43 g/mol. Its IUPAC name is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum.

Molecular Properties

• Compound Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum
• PubChem CID: 59399259
• Molecular Formula: C19H16F2N3OPt-
• Molecular Weight: 535.43 g/mol
• Exact Mass: 535.09
• IUPAC Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum
• SMILES: CC(C)(c1cccc(CO)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
• InChI: InChI=1S/C19H16F2N3O.Pt/c1-19(2,15-7-3-5-12(11-25)22-15)16-8-4-6-14(23-16)13-9-10-17(20)24-18(13)21;/h3-8,10,25H,11H2,1-2H3;/q-1
• InChIKey: DEWOXGCGBIMLFF-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.43
LogP ≤ 5	3.43
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 [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum?

The IUPAC name of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum (CID 59399259) is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum.

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

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

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

The InChIKey is DEWOXGCGBIMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N3O.Pt/c1-19(2,15-7-3-5-12(11-25)22-15)16-8-4-6-14(23-16)13-9-10-17(20)24-18(13)21;/h3-8,10,25H,11H2,1-2H3;/q-1;.

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

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum has a molecular weight of 535.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum is sourced from PubChem (CID 59399259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).