7-chloro-2-methyl-1H-indole

C9H8ClN — CID 11816062

IUPAC7-chloro-2-methyl-1H-indole
SMILESCc1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C9H8ClN/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5,11H,1H3
InChIKeyYIJQQOHTYWFLQH-UHFFFAOYSA-N
MW165.62 g/mol
LogP3.13
Rot. Bonds

About 7-chloro-2-methyl-1H-indole

7-chloro-2-methyl-1H-indole (PubChem CID 11816062) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 7-chloro-2-methyl-1H-indole.

Molecular Properties

Compound Name7-chloro-2-methyl-1H-indole
PubChem CID11816062
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name7-chloro-2-methyl-1H-indole
SMILESCc1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C9H8ClN/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5,11H,1H3
InChIKeyYIJQQOHTYWFLQH-UHFFFAOYSA-N
XLogP3.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 7-chloro-2-methyl-1H-indole 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 7-chloro-2-methyl-1H-indole?
The IUPAC name of 7-chloro-2-methyl-1H-indole (CID 11816062) is 7-chloro-2-methyl-1H-indole.
What is the SMILES notation for 7-chloro-2-methyl-1H-indole?
The canonical SMILES for 7-chloro-2-methyl-1H-indole is Cc1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-2-methyl-1H-indole?
The InChIKey is YIJQQOHTYWFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5,11H,1H3.
What are the key properties of 7-chloro-2-methyl-1H-indole?
7-chloro-2-methyl-1H-indole has a molecular weight of 165.62 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-1H-indole is sourced from PubChem (CID 11816062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).