azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)

C30H22N5O4Ru — CID 138455537

IUPACazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3].c1ccc2cnccc2c1.c1ccc2cnccc2c1
InChIInChI=1S/C12H8N2O4.2C9H7N.H2N.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;1H2;/q;;;-1;+3/p-2
InChIKeyZPIDQIJVBZHRSI-UHFFFAOYSA-L
MW617.61 g/mol
LogP4.05
Rot. Bonds3

About azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)

azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+) (PubChem CID 138455537) has the molecular formula C30H22N5O4Ru and a molecular weight of 617.61 g/mol. Its IUPAC name is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+).

Molecular Properties

Compound Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)
PubChem CID138455537
Molecular FormulaC30H22N5O4Ru
Molecular Weight617.61 g/mol
Exact Mass618.07
IUPAC Nameazanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3].c1ccc2cnccc2c1.c1ccc2cnccc2c1
InChIInChI=1S/C12H8N2O4.2C9H7N.H2N.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;1H2;/q;;;-1;+3/p-2
InChIKeyZPIDQIJVBZHRSI-UHFFFAOYSA-L
XLogP4.05
TPSA165.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.61
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)?
The IUPAC name of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+) (CID 138455537) is azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+).
What is the SMILES notation for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)?
The canonical SMILES for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+) is O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[NH2-].[Ru+3].c1ccc2cnccc2c1.c1ccc2cnccc2c1.
What is the InChIKey of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)?
The InChIKey is ZPIDQIJVBZHRSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C9H7N.H2N.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;1H2;/q;;;-1;+3/p-2.
What are the key properties of azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+)?
azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+) has a molecular weight of 617.61 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(3+) is sourced from PubChem (CID 138455537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).