5-chloro-6-methyl-1H-indole

C9H8ClN — CID 10487242

IUPAC5-chloro-6-methyl-1H-indole
SMILESCc1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C9H8ClN/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5,11H,1H3
InChIKeyLJCGPVBAKRGTSE-UHFFFAOYSA-N
MW165.62 g/mol
LogP3.13
Rot. Bonds

About 5-chloro-6-methyl-1H-indole

5-chloro-6-methyl-1H-indole (PubChem CID 10487242) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 5-chloro-6-methyl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-methyl-1H-indole
PubChem CID10487242
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name5-chloro-6-methyl-1H-indole
SMILESCc1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C9H8ClN/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5,11H,1H3
InChIKeyLJCGPVBAKRGTSE-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1H-indole?
The IUPAC name of 5-chloro-6-methyl-1H-indole (CID 10487242) is 5-chloro-6-methyl-1H-indole.
What is the SMILES notation for 5-chloro-6-methyl-1H-indole?
The canonical SMILES for 5-chloro-6-methyl-1H-indole is Cc1cc2[nH]ccc2cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-1H-indole?
The InChIKey is LJCGPVBAKRGTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-6-4-9-7(2-3-11-9)5-8(6)10/h2-5,11H,1H3.
What are the key properties of 5-chloro-6-methyl-1H-indole?
5-chloro-6-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 5-chloro-6-methyl-1H-indole is sourced from PubChem (CID 10487242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).