5-chloro-2-(oxomethylidene)indole-3-carbaldehyde

C10H4ClNO2 — CID 140997677

IUPAC5-chloro-2-(oxomethylidene)indole-3-carbaldehyde
SMILESO=C=C1N=c2ccc(Cl)cc2=C1C=O
InChIInChI=1S/C10H4ClNO2/c11-6-1-2-9-7(3-6)8(4-13)10(5-14)12-9/h1-4H
InChIKeyKHMBVAZWJKNZSN-UHFFFAOYSA-N
MW205.60 g/mol
LogP0.04
Rot. Bonds1

About 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde

5-chloro-2-(oxomethylidene)indole-3-carbaldehyde (PubChem CID 140997677) has the molecular formula C10H4ClNO2 and a molecular weight of 205.60 g/mol. Its IUPAC name is 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(oxomethylidene)indole-3-carbaldehyde
PubChem CID140997677
Molecular FormulaC10H4ClNO2
Molecular Weight205.60 g/mol
Exact Mass204.99
IUPAC Name5-chloro-2-(oxomethylidene)indole-3-carbaldehyde
SMILESO=C=C1N=c2ccc(Cl)cc2=C1C=O
InChIInChI=1S/C10H4ClNO2/c11-6-1-2-9-7(3-6)8(4-13)10(5-14)12-9/h1-4H
InChIKeyKHMBVAZWJKNZSN-UHFFFAOYSA-N
XLogP0.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(oxomethylidene)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 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde (CID 140997677) is 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde is O=C=C1N=c2ccc(Cl)cc2=C1C=O.
What is the InChIKey of 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde?
The InChIKey is KHMBVAZWJKNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClNO2/c11-6-1-2-9-7(3-6)8(4-13)10(5-14)12-9/h1-4H.
What are the key properties of 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde?
5-chloro-2-(oxomethylidene)indole-3-carbaldehyde has a molecular weight of 205.60 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxomethylidene)indole-3-carbaldehyde is sourced from PubChem (CID 140997677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).