[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)

C21H14F5N3OPt — CID 59645762

About [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)

[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) (PubChem CID 59645762) has the molecular formula C21H14F5N3OPt and a molecular weight of 614.43 g/mol. Its IUPAC name is [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+).

Molecular Properties

• Compound Name: [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
• PubChem CID: 59645762
• Molecular Formula: C21H14F5N3OPt
• Molecular Weight: 614.43 g/mol
• Exact Mass: 614.07
• IUPAC Name: [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)
• SMILES: CC(C)(c1cccc(C(=O)[N-]C(F)(F)F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.[Pt+2]
• InChI: InChI=1S/C21H15F5N3O.Pt/c1-20(2,18-8-4-6-16(28-18)19(30)29-21(24,25)26)17-7-3-5-15(27-17)13-10-9-12(22)11-14(13)23;/h3-9,11H,1-2H3,(H,29,30);/q-1;+2/p-1
• InChIKey: XJXMDPYCCZBMOO-UHFFFAOYSA-M
• XLogP: 5.58
• TPSA: 56.95 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.43
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The IUPAC name of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) (CID 59645762) is [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+).

What is the SMILES notation for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The canonical SMILES for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) is CC(C)(c1cccc(C(=O)[N-]C(F)(F)F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.[Pt+2].

What is the InChIKey of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

The InChIKey is XJXMDPYCCZBMOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15F5N3O.Pt/c1-20(2,18-8-4-6-16(28-18)19(30)29-21(24,25)26)17-7-3-5-15(27-17)13-10-9-12(22)11-14(13)23;/h3-9,11H,1-2H3,(H,29,30);/q-1;+2/p-1.

What are the key properties of [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+)?

[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) has a molecular weight of 614.43 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;platinum(2+) is sourced from PubChem (CID 59645762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).