4-amino-3-chloro-2-hydroxybenzoic acid

C7H6ClNO3 — CID 54442590

IUPAC4-amino-3-chloro-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1Cl
InChIInChI=1S/C7H6ClNO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyWPECHGGOGWVDPR-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.33
Rot. Bonds1

About 4-amino-3-chloro-2-hydroxybenzoic acid

4-amino-3-chloro-2-hydroxybenzoic acid (PubChem CID 54442590) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 4-amino-3-chloro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-amino-3-chloro-2-hydroxybenzoic acid
PubChem CID54442590
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name4-amino-3-chloro-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1Cl
InChIInChI=1S/C7H6ClNO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyWPECHGGOGWVDPR-UHFFFAOYSA-N
XLogP1.33
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-chloro-2-hydroxybenzoic 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

3,4-diamino-2-chlorobenzoic acid
CID 154372958
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
2-chloro-3-hydroxy-4-iodobenzoic acid
CID 130296640
5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 84673726
3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911
CID 67856266
CID 67856266
3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
2,3-diamino-4-chlorobenzoic acid
CID 10655174
3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid
CID 157279139
1-(4-amino-2,3-dichlorophenyl)-2,2,2-trifluoroethanone
CID 175139481
CID 174724694
CID 174724694

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-2-hydroxybenzoic acid?
The IUPAC name of 4-amino-3-chloro-2-hydroxybenzoic acid (CID 54442590) is 4-amino-3-chloro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-amino-3-chloro-2-hydroxybenzoic acid?
The canonical SMILES for 4-amino-3-chloro-2-hydroxybenzoic acid is Nc1ccc(C(=O)O)c(O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-2-hydroxybenzoic acid?
The InChIKey is WPECHGGOGWVDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,9H2,(H,11,12).
What are the key properties of 4-amino-3-chloro-2-hydroxybenzoic acid?
4-amino-3-chloro-2-hydroxybenzoic acid has a molecular weight of 187.58 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-2-hydroxybenzoic acid is sourced from PubChem (CID 54442590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).