[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)

C20H13F5N4O3PtS — CID 59399210

About [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+) (PubChem CID 59399210) has the molecular formula C20H13F5N4O3PtS and a molecular weight of 679.48 g/mol. Its IUPAC name is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+).

Molecular Properties

• Compound Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)
• PubChem CID: 59399210
• Molecular Formula: C20H13F5N4O3PtS
• Molecular Weight: 679.48 g/mol
• Exact Mass: 679.03
• IUPAC Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)
• SMILES: CC(C)(c1cccc(C(=O)[N-]S(=O)(=O)C(F)(F)F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt+2]
• InChI: InChI=1S/C20H14F5N4O3S.Pt/c1-19(2,14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22)15-8-4-6-13(27-15)18(30)29-33(31,32)20(23,24)25;/h3-8,10H,1-2H3,(H,29,30);/q-1;+2/p-1
• InChIKey: YHEZBRCPBQWUNK-UHFFFAOYSA-M
• XLogP: 4.30
• TPSA: 103.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.48
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)?

The IUPAC name of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+) (CID 59399210) is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+).

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

The canonical SMILES for [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+) is CC(C)(c1cccc(C(=O)[N-]S(=O)(=O)C(F)(F)F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt+2].

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

The InChIKey is YHEZBRCPBQWUNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14F5N4O3S.Pt/c1-19(2,14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22)15-8-4-6-13(27-15)18(30)29-33(31,32)20(23,24)25;/h3-8,10H,1-2H3,(H,29,30);/q-1;+2/p-1.

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

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+) has a molecular weight of 679.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+) is sourced from PubChem (CID 59399210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).