2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C32H22N6O4Ru — CID 3081541

IUPAC2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESO=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H,(H,15,16)(H,17,18);2*1-8H;/q;;;+2/p-2
InChIKeyYKWAWOTVGKMRAN-UHFFFAOYSA-L
MW655.64 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 3081541) has the molecular formula C32H22N6O4Ru and a molecular weight of 655.64 g/mol. Its IUPAC name is 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Name2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID3081541
Molecular FormulaC32H22N6O4Ru
Molecular Weight655.64 g/mol
Exact Mass656.07
IUPAC Name2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESO=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H,(H,15,16)(H,17,18);2*1-8H;/q;;;+2/p-2
InChIKeyYKWAWOTVGKMRAN-UHFFFAOYSA-L
XLogP3.16
TPSA157.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 3081541) is 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is YKWAWOTVGKMRAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H,(H,15,16)(H,17,18);2*1-8H;/q;;;+2/p-2.
What are the key properties of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 655.64 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 3081541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).