4-chloro-3-(2-hydroxyanilino)benzoic acid

C13H10ClNO3 — CID 82537358

IUPAC4-chloro-3-(2-hydroxyanilino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(Nc2ccccc2O)c1
InChIInChI=1S/C13H10ClNO3/c14-9-6-5-8(13(17)18)7-11(9)15-10-3-1-2-4-12(10)16/h1-7,15-16H,(H,17,18)
InChIKeyOKCYDONDUWYQST-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.49
Rot. Bonds3

About 4-chloro-3-(2-hydroxyanilino)benzoic acid

4-chloro-3-(2-hydroxyanilino)benzoic acid (PubChem CID 82537358) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-chloro-3-(2-hydroxyanilino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-hydroxyanilino)benzoic acid
PubChem CID82537358
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name4-chloro-3-(2-hydroxyanilino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(Nc2ccccc2O)c1
InChIInChI=1S/C13H10ClNO3/c14-9-6-5-8(13(17)18)7-11(9)15-10-3-1-2-4-12(10)16/h1-7,15-16H,(H,17,18)
InChIKeyOKCYDONDUWYQST-UHFFFAOYSA-N
XLogP3.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-chloro-3-(2-hydroxyanilino)benzoic 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-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
3-amino-4-(2,5-dichloroanilino)benzoic acid
CID 54888772
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
CID 43809174
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
CID 14243390
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
4-chloro-3-hydroxybenzoic acid;tribromoborane
CID 157084647
3-(tert-butylcarbamoylamino)-4-chlorobenzoic acid
CID 28786246
6-(2-hydroxyanilino)pyridazine-4-carboxylic acid
CID 136965896
3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-hydroxyanilino)benzoic acid?
The IUPAC name of 4-chloro-3-(2-hydroxyanilino)benzoic acid (CID 82537358) is 4-chloro-3-(2-hydroxyanilino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-hydroxyanilino)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-hydroxyanilino)benzoic acid is O=C(O)c1ccc(Cl)c(Nc2ccccc2O)c1.
What is the InChIKey of 4-chloro-3-(2-hydroxyanilino)benzoic acid?
The InChIKey is OKCYDONDUWYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-6-5-8(13(17)18)7-11(9)15-10-3-1-2-4-12(10)16/h1-7,15-16H,(H,17,18).
What are the key properties of 4-chloro-3-(2-hydroxyanilino)benzoic acid?
4-chloro-3-(2-hydroxyanilino)benzoic acid has a molecular weight of 263.68 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-hydroxyanilino)benzoic acid is sourced from PubChem (CID 82537358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).