bis(pyridine-3-carboxylate);ruthenium(2+)

C12H8N2O4Ru — CID 87535471

IUPACbis(pyridine-3-carboxylate);ruthenium(2+)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Ru+2]
InChIInChI=1S/2C6H5NO2.Ru/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyHZZAKVINTFTHKR-UHFFFAOYSA-L
MW345.28 g/mol
LogP-1.11
Rot. Bonds2

About bis(pyridine-3-carboxylate);ruthenium(2+)

bis(pyridine-3-carboxylate);ruthenium(2+) (PubChem CID 87535471) has the molecular formula C12H8N2O4Ru and a molecular weight of 345.28 g/mol. Its IUPAC name is bis(pyridine-3-carboxylate);ruthenium(2+).

Molecular Properties

Compound Namebis(pyridine-3-carboxylate);ruthenium(2+)
PubChem CID87535471
Molecular FormulaC12H8N2O4Ru
Molecular Weight345.28 g/mol
Exact Mass345.95
IUPAC Namebis(pyridine-3-carboxylate);ruthenium(2+)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Ru+2]
InChIInChI=1S/2C6H5NO2.Ru/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyHZZAKVINTFTHKR-UHFFFAOYSA-L
XLogP-1.11
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(pyridine-3-carboxylate);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

Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
CID 22353992
(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
CID 175782896
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
CID 169075412
5-methylpyridin-1-ium-2-amine;pyridine-3-carboxylate
CID 139078518
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176

Frequently Asked Questions

What is the IUPAC name of bis(pyridine-3-carboxylate);ruthenium(2+)?
The IUPAC name of bis(pyridine-3-carboxylate);ruthenium(2+) (CID 87535471) is bis(pyridine-3-carboxylate);ruthenium(2+).
What is the SMILES notation for bis(pyridine-3-carboxylate);ruthenium(2+)?
The canonical SMILES for bis(pyridine-3-carboxylate);ruthenium(2+) is O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Ru+2].
What is the InChIKey of bis(pyridine-3-carboxylate);ruthenium(2+)?
The InChIKey is HZZAKVINTFTHKR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.Ru/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2.
What are the key properties of bis(pyridine-3-carboxylate);ruthenium(2+)?
bis(pyridine-3-carboxylate);ruthenium(2+) has a molecular weight of 345.28 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine-3-carboxylate);ruthenium(2+) is sourced from PubChem (CID 87535471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).