5-chloro-1-benzofuran-2-carbaldehyde

C9H5ClO2 — CID 13400170

IUPAC5-chloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C9H5ClO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyAYMDSEGLAHWJLP-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.90
Rot. Bonds1

About 5-chloro-1-benzofuran-2-carbaldehyde

5-chloro-1-benzofuran-2-carbaldehyde (PubChem CID 13400170) has the molecular formula C9H5ClO2 and a molecular weight of 180.59 g/mol. Its IUPAC name is 5-chloro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-benzofuran-2-carbaldehyde
PubChem CID13400170
Molecular FormulaC9H5ClO2
Molecular Weight180.59 g/mol
Exact Mass180.00
IUPAC Name5-chloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C9H5ClO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyAYMDSEGLAHWJLP-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-1-benzofuran-2-carbaldehyde 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 5-chloro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-chloro-1-benzofuran-2-carbaldehyde (CID 13400170) is 5-chloro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-benzofuran-2-carbaldehyde is O=Cc1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-1-benzofuran-2-carbaldehyde?
The InChIKey is AYMDSEGLAHWJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H.
What are the key properties of 5-chloro-1-benzofuran-2-carbaldehyde?
5-chloro-1-benzofuran-2-carbaldehyde has a molecular weight of 180.59 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 13400170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).