platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C20H15F3N3O2Pt- — CID 59399423

About platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59399423) has the molecular formula C20H15F3N3O2Pt- and a molecular weight of 581.43 g/mol. Its IUPAC name is platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 59399423
• Molecular Formula: C20H15F3N3O2Pt-
• Molecular Weight: 581.43 g/mol
• Exact Mass: 581.08
• IUPAC Name: platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]ccnc2C(F)(F)F)n1.[Pt]
• InChI: InChI=1S/C20H15F3N3O2.Pt/c1-19(2,16-10-4-8-14(26-16)18(27)28)15-9-3-7-13(25-15)12-6-5-11-24-17(12)20(21,22)23;/h3-5,7-11H,1-2H3,(H,27,28);/q-1
• InChIKey: TYJZAULPQBXEED-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 75.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.43
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59399423) is platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]ccnc2C(F)(F)F)n1.[Pt].

What is the InChIKey of platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is TYJZAULPQBXEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N3O2.Pt/c1-19(2,16-10-4-8-14(26-16)18(27)28)15-9-3-7-13(25-15)12-6-5-11-24-17(12)20(21,22)23;/h3-5,7-11H,1-2H3,(H,27,28);/q-1;.

What are the key properties of platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 581.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).