6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C17H13N6O2Pt- — CID 59645814

About 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59645814) has the molecular formula C17H13N6O2Pt- and a molecular weight of 528.41 g/mol. Its IUPAC name is 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 59645814
• Molecular Formula: C17H13N6O2Pt-
• Molecular Weight: 528.41 g/mol
• Exact Mass: 528.08
• IUPAC Name: 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: [C-]#[N+]c1n[n-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1.[Pt]
• InChI: InChI=1S/C17H14N6O2.Pt/c1-17(2,13-9-5-7-11(20-13)15(24)25)12-8-4-6-10(19-12)14-21-16(18-3)23-22-14;/h4-9H,1-2H3,(H2,19,21,22,23,24,25);/p-1
• InChIKey: CIHYJZCSSXKXLM-UHFFFAOYSA-M
• XLogP: 2.46
• TPSA: 107.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.41
LogP ≤ 5	2.46
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-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59645814) is 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is [C-]#[N+]c1n[n-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1.[Pt].

What is the InChIKey of 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is CIHYJZCSSXKXLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N6O2.Pt/c1-17(2,13-9-5-7-11(20-13)15(24)25)12-8-4-6-10(19-12)14-21-16(18-3)23-22-14;/h4-9H,1-2H3,(H2,19,21,22,23,24,25);/p-1.

What are the key properties of 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 528.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(5-isocyano-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59645814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).