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

C24H20N4O4Ru — CID 56684304

IUPAC6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2]
InChIInChI=1S/C12H8N2O4.2C6H7N.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;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;/q;;;+2/p-2
InChIKeyBQOFAXMXHILOCW-UHFFFAOYSA-L
MW529.52 g/mol
LogP1.65
Rot. Bonds3

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

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+) (PubChem CID 56684304) has the molecular formula C24H20N4O4Ru and a molecular weight of 529.52 g/mol. Its IUPAC name is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+).

Molecular Properties

Compound Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
PubChem CID56684304
Molecular FormulaC24H20N4O4Ru
Molecular Weight529.52 g/mol
Exact Mass530.05
IUPAC Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2]
InChIInChI=1S/C12H8N2O4.2C6H7N.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;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;/q;;;+2/p-2
InChIKeyBQOFAXMXHILOCW-UHFFFAOYSA-L
XLogP1.65
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)?
The IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+) (CID 56684304) is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+).
What is the SMILES notation for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)?
The canonical SMILES for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+) is Cc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2].
What is the InChIKey of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)?
The InChIKey is BQOFAXMXHILOCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C6H7N.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;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;/q;;;+2/p-2.
What are the key properties of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)?
6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+) has a molecular weight of 529.52 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+) is sourced from PubChem (CID 56684304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).