2-Chlorobenzoic Acid

C7H5ClO2 — CID 8374

IUPAC2-chlorobenzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)Cl
InChIInChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyIKCLCGXPQILATA-UHFFFAOYSA-N
MW156.56 g/mol
LogP2.10
Rot. Bonds1

About 2-Chlorobenzoic Acid

2-Chlorobenzoic Acid (PubChem CID 8374) has the molecular formula C7H5ClO2 and a molecular weight of 156.56 g/mol. Its IUPAC name is 2-chlorobenzoic acid.

Molecular Properties

Compound Name2-Chlorobenzoic Acid
PubChem CID8374
Molecular FormulaC7H5ClO2
Molecular Weight156.56 g/mol
Exact Mass156.00
IUPAC Name2-chlorobenzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)Cl
InChIInChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyIKCLCGXPQILATA-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.56
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-Chlorobenzoic 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

Benzoic Acid
CID 243
4-Chlorobenzoic Acid
CID 6318
3-Chlorobenzoic Acid
CID 447
m-Chloroperbenzoic acid
CID 70297
p-(Chloromercuri)benzoic acid
CID 1730
2,6-Dichlorobenzoic acid
CID 5758
3,5-Dichlorobenzoic acid
CID 5811
2,4-Dichlorobenzoic Acid
CID 5787
2,5-Dichlorobenzoic acid
CID 5784
2,3,6-Trichlorobenzoic acid
CID 5759
3,4-Dichlorobenzoic acid
CID 5817
2,3-Dichlorobenzoic acid
CID 5765

Frequently Asked Questions

What is the IUPAC name of 2-Chlorobenzoic Acid?
The IUPAC name of 2-Chlorobenzoic Acid (CID 8374) is 2-chlorobenzoic acid.
What is the SMILES notation for 2-Chlorobenzoic Acid?
The canonical SMILES for 2-Chlorobenzoic Acid is C1=CC=C(C(=C1)C(=O)O)Cl.
What is the InChIKey of 2-Chlorobenzoic Acid?
The InChIKey is IKCLCGXPQILATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10).
What are the key properties of 2-Chlorobenzoic Acid?
2-Chlorobenzoic Acid has a molecular weight of 156.56 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chlorobenzoic Acid is sourced from PubChem (CID 8374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).