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

C21H20F2N3OPt- — CID 59399183

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

2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum (PubChem CID 59399183) has the molecular formula C21H20F2N3OPt- and a molecular weight of 563.49 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]propan-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]propan-2-ol;platinum
• PubChem CID: 59399183
• Molecular Formula: C21H20F2N3OPt-
• Molecular Weight: 563.49 g/mol
• Exact Mass: 563.12
• IUPAC Name: 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum
• SMILES: CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.[Pt]
• InChI: InChI=1S/C21H20F2N3O.Pt/c1-20(2,16-9-6-10-17(25-16)21(3,4)27)15-8-5-7-14(24-15)13-11-12-18(22)26-19(13)23;/h5-10,12,27H,1-4H3;/q-1
• InChIKey: JOCWCGSENJSMJM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.49
LogP ≤ 5	4.17
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]propan-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]propan-2-ol;platinum (CID 59399183) is 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-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]propan-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]propan-2-ol;platinum is CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)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]propan-2-ol;platinum?

The InChIKey is JOCWCGSENJSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N3O.Pt/c1-20(2,16-9-6-10-17(25-16)21(3,4)27)15-8-5-7-14(24-15)13-11-12-18(22)26-19(13)23;/h5-10,12,27H,1-4H3;/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]propan-2-ol;platinum?

2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol;platinum has a molecular weight of 563.49 g/mol, XLogP of 4.17, 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]propan-2-ol;platinum is sourced from PubChem (CID 59399183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).