2,4-dichloro-1H-indole-3-carbaldehyde

C9H5Cl2NO — CID 75365474

IUPAC2,4-dichloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-8(6)5(4-13)9(11)12-7/h1-4,12H
InChIKeyZHWLJKBDGSUWRO-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.29
Rot. Bonds1

About 2,4-dichloro-1H-indole-3-carbaldehyde

2,4-dichloro-1H-indole-3-carbaldehyde (PubChem CID 75365474) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2,4-dichloro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloro-1H-indole-3-carbaldehyde
PubChem CID75365474
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name2,4-dichloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-8(6)5(4-13)9(11)12-7/h1-4,12H
InChIKeyZHWLJKBDGSUWRO-UHFFFAOYSA-N
XLogP3.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-1H-indole-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 2,4-dichloro-1H-indole-3-carbaldehyde?
The IUPAC name of 2,4-dichloro-1H-indole-3-carbaldehyde (CID 75365474) is 2,4-dichloro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2,4-dichloro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2,4-dichloro-1H-indole-3-carbaldehyde is O=Cc1c(Cl)[nH]c2cccc(Cl)c12.
What is the InChIKey of 2,4-dichloro-1H-indole-3-carbaldehyde?
The InChIKey is ZHWLJKBDGSUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-8(6)5(4-13)9(11)12-7/h1-4,12H.
What are the key properties of 2,4-dichloro-1H-indole-3-carbaldehyde?
2,4-dichloro-1H-indole-3-carbaldehyde has a molecular weight of 214.05 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 75365474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).