6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C19H13N6O2Pt- — CID 59645772

About 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59645772) has the molecular formula C19H13N6O2Pt- and a molecular weight of 552.43 g/mol. Its IUPAC name is 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 59645772
• Molecular Formula: C19H13N6O2Pt-
• Molecular Weight: 552.43 g/mol
• Exact Mass: 552.08
• IUPAC Name: 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: [C-]#[N+]c1n[c-]n(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1[N+]#[C-].[Pt]
• InChI: InChI=1S/C19H13N6O2.Pt/c1-19(2,13-8-5-7-12(23-13)18(26)27)14-9-6-10-15(24-14)25-11-22-16(20-3)17(25)21-4;/h5-10H,1-2H3,(H,26,27);/q-1
• InChIKey: DZHMBQPYFKQEAA-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 89.62 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	552.43
LogP ≤ 5	3.59
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 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59645772) is 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is [C-]#[N+]c1n[c-]n(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1[N+]#[C-].[Pt].

What is the InChIKey of 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is DZHMBQPYFKQEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N6O2.Pt/c1-19(2,13-8-5-7-12(23-13)18(26)27)14-9-6-10-15(24-14)25-11-22-16(20-3)17(25)21-4;/h5-10H,1-2H3,(H,26,27);/q-1;.

What are the key properties of 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 552.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(4,5-diisocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59645772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).