6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate

C₂₄H₂₀ClN₄O₈Ru — CID 139185927

About 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate (PubChem CID 139185927) has the molecular formula C₂₄H₂₀ClN₄O₈Ru and a molecular weight of 628.97 g/mol. Its IUPAC name is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate.

Molecular Properties

• Compound Name: 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate
• PubChem CID: 139185927
• Molecular Formula: C₂₄H₂₀ClN₄O₈Ru
• Molecular Weight: 628.97 g/mol
• Exact Mass: 629.00
• IUPAC Name: 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate
• SMILES: Cc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[O-][Cl+3]([O-])([O-])[O-].[Ru+3]
• InChI: InChI=1S/C12H8N2O4.2C6H7N.ClHO4.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;(H,2,3,4,5);/q;;;;+3/p-3
• InChIKey: ODWCQTNVSWHBMD-UHFFFAOYSA-K
• XLogP: -3.11
• TPSA: 224.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.97
LogP ≤ 5	-3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?

The IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate (CID 139185927) is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate.

What is the SMILES notation for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?

The canonical SMILES for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate is Cc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[O-][Cl+3]([O-])([O-])[O-].[Ru+3].

What is the InChIKey of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?

The InChIKey is ODWCQTNVSWHBMD-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2O4.2C6H7N.ClHO4.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;(H,2,3,4,5);/q;;;;+3/p-3.

What are the key properties of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate has a molecular weight of 628.97 g/mol, XLogP of -3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate is sourced from PubChem (CID 139185927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139185927 — identifiers, structure, computed properties (public domain)

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