pyridine-3,4-dicarboxylic acid

C7H5NO4 — CID 10273

IUPACpyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccncc1C(=O)O
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyMUYSADWCWFFZKR-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.48
Rot. Bonds2

About pyridine-3,4-dicarboxylic acid

pyridine-3,4-dicarboxylic acid (PubChem CID 10273) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is pyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-3,4-dicarboxylic acid
PubChem CID10273
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Namepyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccncc1C(=O)O
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyMUYSADWCWFFZKR-UHFFFAOYSA-N
XLogP0.48
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyridine-3,4-dicarboxylic acid 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 pyridine-3,4-dicarboxylic acid?
The IUPAC name of pyridine-3,4-dicarboxylic acid (CID 10273) is pyridine-3,4-dicarboxylic acid.
What is the SMILES notation for pyridine-3,4-dicarboxylic acid?
The canonical SMILES for pyridine-3,4-dicarboxylic acid is O=C(O)c1ccncc1C(=O)O.
What is the InChIKey of pyridine-3,4-dicarboxylic acid?
The InChIKey is MUYSADWCWFFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-3,4-dicarboxylic acid?
pyridine-3,4-dicarboxylic acid has a molecular weight of 167.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 10273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).