2-(7-chloro-1H-indol-5-yl)acetaldehyde

C10H8ClNO — CID 83878658

IUPAC2-(7-chloro-1H-indol-5-yl)acetaldehyde
SMILESO=CCc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C10H8ClNO/c11-9-6-7(2-4-13)5-8-1-3-12-10(8)9/h1,3-6,12H,2H2
InChIKeyYLSLYTLSPXLLBN-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.56
Rot. Bonds2

About 2-(7-chloro-1H-indol-5-yl)acetaldehyde

2-(7-chloro-1H-indol-5-yl)acetaldehyde (PubChem CID 83878658) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-5-yl)acetaldehyde
PubChem CID83878658
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-(7-chloro-1H-indol-5-yl)acetaldehyde
SMILESO=CCc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C10H8ClNO/c11-9-6-7(2-4-13)5-8-1-3-12-10(8)9/h1,3-6,12H,2H2
InChIKeyYLSLYTLSPXLLBN-UHFFFAOYSA-N
XLogP2.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(7-chloro-1H-indol-5-yl)acetaldehyde 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-(7-chloro-1H-indol-5-yl)acetaldehyde?
The IUPAC name of 2-(7-chloro-1H-indol-5-yl)acetaldehyde (CID 83878658) is 2-(7-chloro-1H-indol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(7-chloro-1H-indol-5-yl)acetaldehyde?
The canonical SMILES for 2-(7-chloro-1H-indol-5-yl)acetaldehyde is O=CCc1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of 2-(7-chloro-1H-indol-5-yl)acetaldehyde?
The InChIKey is YLSLYTLSPXLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-9-6-7(2-4-13)5-8-1-3-12-10(8)9/h1,3-6,12H,2H2.
What are the key properties of 2-(7-chloro-1H-indol-5-yl)acetaldehyde?
2-(7-chloro-1H-indol-5-yl)acetaldehyde has a molecular weight of 193.63 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-5-yl)acetaldehyde is sourced from PubChem (CID 83878658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).