platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C18H14F3N4O2Pt- — CID 59646086

About platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59646086) has the molecular formula C18H14F3N4O2Pt- and a molecular weight of 570.41 g/mol. Its IUPAC name is platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 59646086
• Molecular Formula: C18H14F3N4O2Pt-
• Molecular Weight: 570.41 g/mol
• Exact Mass: 570.07
• IUPAC Name: platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[Pt]
• InChI: InChI=1S/C18H14F3N4O2.Pt/c1-17(2,12-6-3-5-11(22-12)16(26)27)13-7-4-8-15(23-13)25-10-9-14(24-25)18(19,20)21;/h3-9H,1-2H3,(H,26,27);/q-1
• InChIKey: BFPNPPXMGOYXEP-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.41
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59646086) is platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[Pt].

What is the InChIKey of platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is BFPNPPXMGOYXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N4O2.Pt/c1-17(2,12-6-3-5-11(22-12)16(26)27)13-7-4-8-15(23-13)25-10-9-14(24-25)18(19,20)21;/h3-9H,1-2H3,(H,26,27);/q-1;.

What are the key properties of platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 570.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59646086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).