7-chloro-1-benzofuran-3-carboxylic acid

C9H5ClO3 — CID 65439700

IUPAC7-chloro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c(Cl)cccc12
InChIInChI=1S/C9H5ClO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-4H,(H,11,12)
InChIKeyMOPRSSLPVFTAGU-UHFFFAOYSA-N
MW196.59 g/mol
LogP2.78
Rot. Bonds1

About 7-chloro-1-benzofuran-3-carboxylic acid

7-chloro-1-benzofuran-3-carboxylic acid (PubChem CID 65439700) has the molecular formula C9H5ClO3 and a molecular weight of 196.59 g/mol. Its IUPAC name is 7-chloro-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-benzofuran-3-carboxylic acid
PubChem CID65439700
Molecular FormulaC9H5ClO3
Molecular Weight196.59 g/mol
Exact Mass195.99
IUPAC Name7-chloro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c(Cl)cccc12
InChIInChI=1S/C9H5ClO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-4H,(H,11,12)
InChIKeyMOPRSSLPVFTAGU-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-1-benzofuran-3-carboxylic 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 7-chloro-1-benzofuran-3-carboxylic acid?
The IUPAC name of 7-chloro-1-benzofuran-3-carboxylic acid (CID 65439700) is 7-chloro-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1-benzofuran-3-carboxylic acid?
The InChIKey is MOPRSSLPVFTAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-4H,(H,11,12).
What are the key properties of 7-chloro-1-benzofuran-3-carboxylic acid?
7-chloro-1-benzofuran-3-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 65439700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).