3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid

C12H8N2O4 — CID 91435588

IUPAC3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cnccc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)7-1-3-13-5-9(7)10-6-14-4-2-8(10)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyNRXDWVPHLIKSQU-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

About 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 91435588) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
PubChem CID91435588
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cnccc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)7-1-3-13-5-9(7)10-6-14-4-2-8(10)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyNRXDWVPHLIKSQU-UHFFFAOYSA-N
XLogP1.54
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid 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

3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid
CID 66474068
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855

Frequently Asked Questions

What is the IUPAC name of 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid (CID 91435588) is 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1cnccc1C(=O)O.
What is the InChIKey of 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is NRXDWVPHLIKSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)7-1-3-13-5-9(7)10-6-14-4-2-8(10)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid?
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 91435588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).