[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)

C22H16F5N3OPt — CID 59342219

About [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)

[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+) (PubChem CID 59342219) has the molecular formula C22H16F5N3OPt and a molecular weight of 628.46 g/mol. Its IUPAC name is [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+).

Molecular Properties

• Compound Name: [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)
• PubChem CID: 59342219
• Molecular Formula: C22H16F5N3OPt
• Molecular Weight: 628.46 g/mol
• Exact Mass: 628.09
• IUPAC Name: [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)
• SMILES: C[N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)n1.[Pt+2]
• InChI: InChI=1S/C22H17F5N3O.Pt/c1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27;/h4-9,11H,1-3H3,(H,28,31);/q-1;+2/p-1
• InChIKey: VMKANOYNQZPKLW-UHFFFAOYSA-M
• XLogP: 5.71
• TPSA: 56.95 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.46
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)?

The IUPAC name of [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+) (CID 59342219) is [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+).

What is the SMILES notation for [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)?

The canonical SMILES for [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+) is C[N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)n1.[Pt+2].

What is the InChIKey of [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)?

The InChIKey is VMKANOYNQZPKLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17F5N3O.Pt/c1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27;/h4-9,11H,1-3H3,(H,28,31);/q-1;+2/p-1.

What are the key properties of [6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+)?

[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+) has a molecular weight of 628.46 g/mol, XLogP of 5.71, 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-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;platinum(2+) is sourced from PubChem (CID 59342219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).