5-chloro-1-hydroxyindole-3-carbaldehyde

C9H6ClNO2 — CID 130026218

IUPAC5-chloro-1-hydroxyindole-3-carbaldehyde
SMILESO=Cc1cn(O)c2ccc(Cl)cc12
InChIInChI=1S/C9H6ClNO2/c10-7-1-2-9-8(3-7)6(5-12)4-11(9)13/h1-5,13H
InChIKeyBWVYHWSXMBMKLW-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.34
Rot. Bonds1

About 5-chloro-1-hydroxyindole-3-carbaldehyde

5-chloro-1-hydroxyindole-3-carbaldehyde (PubChem CID 130026218) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-chloro-1-hydroxyindole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-hydroxyindole-3-carbaldehyde
PubChem CID130026218
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name5-chloro-1-hydroxyindole-3-carbaldehyde
SMILESO=Cc1cn(O)c2ccc(Cl)cc12
InChIInChI=1S/C9H6ClNO2/c10-7-1-2-9-8(3-7)6(5-12)4-11(9)13/h1-5,13H
InChIKeyBWVYHWSXMBMKLW-UHFFFAOYSA-N
XLogP2.34
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-hydroxyindole-3-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-hydroxyindole-3-carbaldehyde?
The IUPAC name of 5-chloro-1-hydroxyindole-3-carbaldehyde (CID 130026218) is 5-chloro-1-hydroxyindole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-1-hydroxyindole-3-carbaldehyde?
The canonical SMILES for 5-chloro-1-hydroxyindole-3-carbaldehyde is O=Cc1cn(O)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-hydroxyindole-3-carbaldehyde?
The InChIKey is BWVYHWSXMBMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-1-2-9-8(3-7)6(5-12)4-11(9)13/h1-5,13H.
What are the key properties of 5-chloro-1-hydroxyindole-3-carbaldehyde?
5-chloro-1-hydroxyindole-3-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hydroxyindole-3-carbaldehyde is sourced from PubChem (CID 130026218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).