4-anilinopyridine-2,6-dicarboxylic acid

C13H10N2O4 — CID 23422805

IUPAC4-anilinopyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)cc(C(=O)O)n1
InChIInChI=1S/C13H10N2O4/c16-12(17)10-6-9(7-11(15-10)13(18)19)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyBNOAWQFZFKLSMO-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.22
Rot. Bonds4

About 4-anilinopyridine-2,6-dicarboxylic acid

4-anilinopyridine-2,6-dicarboxylic acid (PubChem CID 23422805) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-anilinopyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-anilinopyridine-2,6-dicarboxylic acid
PubChem CID23422805
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-anilinopyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)cc(C(=O)O)n1
InChIInChI=1S/C13H10N2O4/c16-12(17)10-6-9(7-11(15-10)13(18)19)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyBNOAWQFZFKLSMO-UHFFFAOYSA-N
XLogP2.22
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-anilinopyridine-2,6-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 4-anilinopyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-anilinopyridine-2,6-dicarboxylic acid (CID 23422805) is 4-anilinopyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-anilinopyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-anilinopyridine-2,6-dicarboxylic acid is O=C(O)c1cc(Nc2ccccc2)cc(C(=O)O)n1.
What is the InChIKey of 4-anilinopyridine-2,6-dicarboxylic acid?
The InChIKey is BNOAWQFZFKLSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12(17)10-6-9(7-11(15-10)13(18)19)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-anilinopyridine-2,6-dicarboxylic acid?
4-anilinopyridine-2,6-dicarboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinopyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 23422805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).