5-chloro-3-methyl-1H-indole

C9H8ClN — CID 11019213

IUPAC5-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChIKeyMWEBJGCQVFUVQL-UHFFFAOYSA-N
MW165.62 g/mol
LogP3.13
Rot. Bonds

About 5-chloro-3-methyl-1H-indole

5-chloro-3-methyl-1H-indole (PubChem CID 11019213) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 5-chloro-3-methyl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-methyl-1H-indole
PubChem CID11019213
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name5-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChIKeyMWEBJGCQVFUVQL-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-3-methyl-1H-indole?
The IUPAC name of 5-chloro-3-methyl-1H-indole (CID 11019213) is 5-chloro-3-methyl-1H-indole.
What is the SMILES notation for 5-chloro-3-methyl-1H-indole?
The canonical SMILES for 5-chloro-3-methyl-1H-indole is Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-1H-indole?
The InChIKey is MWEBJGCQVFUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3.
What are the key properties of 5-chloro-3-methyl-1H-indole?
5-chloro-3-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-3-methyl-1H-indole is sourced from PubChem (CID 11019213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).