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

C21H14F8N3OPt- — CID 59399095

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

2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum (PubChem CID 59399095) has the molecular formula C21H14F8N3OPt- and a molecular weight of 671.43 g/mol. Its IUPAC name is 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum.

Molecular Properties

• Compound Name: 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum
• PubChem CID: 59399095
• Molecular Formula: C21H14F8N3OPt-
• Molecular Weight: 671.43 g/mol
• Exact Mass: 671.07
• IUPAC Name: 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1.[Pt]
• InChI: InChI=1S/C21H14F8N3O.Pt/c1-18(2,13-6-3-5-12(30-13)11-9-10-16(22)32-17(11)23)14-7-4-8-15(31-14)19(33,20(24,25)26)21(27,28)29;/h3-8,10,33H,1-2H3;/q-1
• InChIKey: VJVHIIWTGYLNIT-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.43
LogP ≤ 5	5.25
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 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum?

The IUPAC name of 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum (CID 59399095) is 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum.

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

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

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

The InChIKey is VJVHIIWTGYLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F8N3O.Pt/c1-18(2,13-6-3-5-12(30-13)11-9-10-16(22)32-17(11)23)14-7-4-8-15(31-14)19(33,20(24,25)26)21(27,28)29;/h3-8,10,33H,1-2H3;/q-1;.

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

2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum has a molecular weight of 671.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum is sourced from PubChem (CID 59399095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).