6-bromo-2-methyl-2H-indole

C9H8BrN — CID 146455495

IUPAC6-bromo-2-methyl-2H-indole
SMILESCC1C=c2ccc(Br)cc2=N1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-6H,1H3
InChIKeyQUTLEVXHDQVQPW-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.25
Rot. Bonds

About 6-bromo-2-methyl-2H-indole

6-bromo-2-methyl-2H-indole (PubChem CID 146455495) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 6-bromo-2-methyl-2H-indole.

Molecular Properties

Compound Name6-bromo-2-methyl-2H-indole
PubChem CID146455495
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name6-bromo-2-methyl-2H-indole
SMILESCC1C=c2ccc(Br)cc2=N1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-6H,1H3
InChIKeyQUTLEVXHDQVQPW-UHFFFAOYSA-N
XLogP1.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-methyl-2H-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 6-bromo-2-methyl-2H-indole?
The IUPAC name of 6-bromo-2-methyl-2H-indole (CID 146455495) is 6-bromo-2-methyl-2H-indole.
What is the SMILES notation for 6-bromo-2-methyl-2H-indole?
The canonical SMILES for 6-bromo-2-methyl-2H-indole is CC1C=c2ccc(Br)cc2=N1.
What is the InChIKey of 6-bromo-2-methyl-2H-indole?
The InChIKey is QUTLEVXHDQVQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-6H,1H3.
What are the key properties of 6-bromo-2-methyl-2H-indole?
6-bromo-2-methyl-2H-indole has a molecular weight of 210.07 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-2H-indole is sourced from PubChem (CID 146455495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).