Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.

Pyridinecarboxylic acids

Organic compounds

Organoheterocyclic compounds

Pyridines and derivatives

Pyridinecarboxylic acids and derivatives

Calculated Property

kind Value Source
logP 3.43 ALOGPS
logS -3.6 ALOGPS
Water Solubility 5.88e-02 g/l ALOGPS
logP 2.85 ChemAxon
IUPAC Name 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid ChemAxon
Traditional IUPAC Name 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid ChemAxon
Molecular Weight 248.665 ChemAxon
Monoisotopic Weight 248.035255249 ChemAxon
SMILES OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1 ChemAxon
Molecular Formula C12H9ClN2O2 ChemAxon
InChI InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17) ChemAxon
Polar Surface Area (PSA) 62.22 ChemAxon
Refractivity 64.76 ChemAxon
Polarizability 24.18 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 1.88 ChemAxon
pKa (strongest basic) 5.52 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • NmrA-like family domain-containing protein 1 : in Human