platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C20H14F3N6O2Pt- — CID 59646024

About platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59646024) has the molecular formula C20H14F3N6O2Pt- and a molecular weight of 622.44 g/mol. Its IUPAC name is platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 59646024
• Molecular Formula: C20H14F3N6O2Pt-
• Molecular Weight: 622.44 g/mol
• Exact Mass: 622.08
• IUPAC Name: platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2[c-]nc3c(C(F)(F)F)ncnc32)n1.[Pt]
• InChI: InChI=1S/C20H14F3N6O2.Pt/c1-19(2,12-6-3-5-11(27-12)18(30)31)13-7-4-8-14(28-13)29-10-26-15-16(20(21,22)23)24-9-25-17(15)29;/h3-9H,1-2H3,(H,30,31);/q-1
• InChIKey: BLVJUWAIJNJIGS-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 106.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59646024) is platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2[c-]nc3c(C(F)(F)F)ncnc32)n1.[Pt].

What is the InChIKey of platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is BLVJUWAIJNJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N6O2.Pt/c1-19(2,12-6-3-5-11(27-12)18(30)31)13-7-4-8-14(28-13)29-10-26-15-16(20(21,22)23)24-9-25-17(15)29;/h3-9H,1-2H3,(H,30,31);/q-1;.

What are the key properties of platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 622.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;6-[2-[6-[6-(trifluoromethyl)-8H-purin-8-id-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59646024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).