6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C19H13F6N4O2Pt- — CID 59646013

About 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59646013) has the molecular formula C19H13F6N4O2Pt- and a molecular weight of 638.41 g/mol. Its IUPAC name is 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 59646013
• Molecular Formula: C19H13F6N4O2Pt-
• Molecular Weight: 638.41 g/mol
• Exact Mass: 638.06
• IUPAC Name: 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)c(C(F)(F)F)[n-]2)n1.[Pt]
• InChI: InChI=1S/C19H14F6N4O2.Pt/c1-17(2,12-8-4-6-10(27-12)16(30)31)11-7-3-5-9(26-11)15-28-13(18(20,21)22)14(29-15)19(23,24)25;/h3-8H,1-2H3,(H2,26,28,29,30,31);/p-1
• InChIKey: VUQBCWUSPISVJA-UHFFFAOYSA-M
• XLogP: 4.55
• TPSA: 90.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.41
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59646013) is 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)c(C(F)(F)F)[n-]2)n1.[Pt].

What is the InChIKey of 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is VUQBCWUSPISVJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14F6N4O2.Pt/c1-17(2,12-8-4-6-10(27-12)16(30)31)11-7-3-5-9(26-11)15-28-13(18(20,21)22)14(29-15)19(23,24)25;/h3-8H,1-2H3,(H2,26,28,29,30,31);/p-1.

What are the key properties of 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 638.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59646013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).