2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid

C11H8N2O4 — CID 159793717

IUPAC2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)N=C(c2cccnc2)C1
InChIInChI=1S/C11H8N2O4/c14-10(15)7-4-8(13-9(7)11(16)17)6-2-1-3-12-5-6/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyAUUHLEXAFNCBSU-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.70
Rot. Bonds3

About 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid

2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid (PubChem CID 159793717) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid
PubChem CID159793717
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)N=C(c2cccnc2)C1
InChIInChI=1S/C11H8N2O4/c14-10(15)7-4-8(13-9(7)11(16)17)6-2-1-3-12-5-6/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyAUUHLEXAFNCBSU-UHFFFAOYSA-N
XLogP0.70
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-3-yl-3H-pyrrole-4,5-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

Related Compounds

4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-pyridin-3-ylbenzoic acid
CID 2795575
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
CID 151934643
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
CID 162043796
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid?
The IUPAC name of 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid (CID 159793717) is 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid?
The canonical SMILES for 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid is O=C(O)C1=C(C(=O)O)N=C(c2cccnc2)C1.
What is the InChIKey of 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid?
The InChIKey is AUUHLEXAFNCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10(15)7-4-8(13-9(7)11(16)17)6-2-1-3-12-5-6/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid?
2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3H-pyrrole-4,5-dicarboxylic acid is sourced from PubChem (CID 159793717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).