6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)

C30H20N4O4Ru — CID 56684305

IUPAC6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2].c1ccc2cnccc2c1.c1ccc2cnccc2c1
InChIInChI=1S/C12H8N2O4.2C9H7N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-2-4-9-7-10-6-5-8(9)3-1;/h1-6H,(H,15,16)(H,17,18);2*1-7H;/q;;;+2/p-2
InChIKeyGGKTXUNPANMLIX-UHFFFAOYSA-L
MW601.58 g/mol
LogP3.34
Rot. Bonds3

About 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+) (PubChem CID 56684305) has the molecular formula C30H20N4O4Ru and a molecular weight of 601.58 g/mol. Its IUPAC name is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+).

Molecular Properties

Compound Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
PubChem CID56684305
Molecular FormulaC30H20N4O4Ru
Molecular Weight601.58 g/mol
Exact Mass602.05
IUPAC Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2].c1ccc2cnccc2c1.c1ccc2cnccc2c1
InChIInChI=1S/C12H8N2O4.2C9H7N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-2-4-9-7-10-6-5-8(9)3-1;/h1-6H,(H,15,16)(H,17,18);2*1-7H;/q;;;+2/p-2
InChIKeyGGKTXUNPANMLIX-UHFFFAOYSA-L
XLogP3.34
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.58
LogP ≤ 53.34
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;isoquinoline;ruthenium(2+)?
The IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+) (CID 56684305) is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+).
What is the SMILES notation for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)?
The canonical SMILES for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+) is O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Ru+2].c1ccc2cnccc2c1.c1ccc2cnccc2c1.
What is the InChIKey of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)?
The InChIKey is GGKTXUNPANMLIX-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C9H7N.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-2-4-9-7-10-6-5-8(9)3-1;/h1-6H,(H,15,16)(H,17,18);2*1-7H;/q;;;+2/p-2.
What are the key properties of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)?
6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+) has a molecular weight of 601.58 g/mol, XLogP of 3.34, 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;isoquinoline;ruthenium(2+) is sourced from PubChem (CID 56684305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).