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

C21H13F5N4O2Pt — CID 59399103

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

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2,2,2-trifluoroacetyl)azanide;platinum(2+) (PubChem CID 59399103) has the molecular formula C21H13F5N4O2Pt and a molecular weight of 643.43 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]-(2,2,2-trifluoroacetyl)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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+)
• PubChem CID: 59399103
• Molecular Formula: C21H13F5N4O2Pt
• Molecular Weight: 643.43 g/mol
• Exact Mass: 643.06
• IUPAC Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2,2,2-trifluoroacetyl)azanide;platinum(2+)
• SMILES: CC(C)(c1cccc(C(=O)[N-]C(=O)C(F)(F)F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt+2]
• InChI: InChI=1S/C21H14F5N4O2.Pt/c1-20(2,14-7-3-5-12(27-14)11-9-10-16(22)29-17(11)23)15-8-4-6-13(28-15)18(31)30-19(32)21(24,25)26;/h3-8,10H,1-2H3,(H,30,31,32);/q-1;+2/p-1
• InChIKey: YTZHSAMODSHDTG-UHFFFAOYSA-M
• XLogP: 4.54
• TPSA: 86.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.43
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-(2,2,2-trifluoroacetyl)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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+) (CID 59399103) is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2,2,2-trifluoroacetyl)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]-(2,2,2-trifluoroacetyl)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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+) is CC(C)(c1cccc(C(=O)[N-]C(=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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+)?

The InChIKey is YTZHSAMODSHDTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14F5N4O2.Pt/c1-20(2,14-7-3-5-12(27-14)11-9-10-16(22)29-17(11)23)15-8-4-6-13(28-15)18(31)30-19(32)21(24,25)26;/h3-8,10H,1-2H3,(H,30,31,32);/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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+)?

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2,2,2-trifluoroacetyl)azanide;platinum(2+) has a molecular weight of 643.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(2,2,2-trifluoroacetyl)azanide;platinum(2+) is sourced from PubChem (CID 59399103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).