5-bromo-6-chloro-1-methyl-2,3-dihydroindole

C9H9BrClN — CID 82622881

IUPAC5-bromo-6-chloro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Br)c(Cl)cc21
InChIInChI=1S/C9H9BrClN/c1-12-3-2-6-4-7(10)8(11)5-9(6)12/h4-5H,2-3H2,1H3
InChIKeySAZWHBMYCHEJDK-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.09
Rot. Bonds

About 5-bromo-6-chloro-1-methyl-2,3-dihydroindole

5-bromo-6-chloro-1-methyl-2,3-dihydroindole (PubChem CID 82622881) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 5-bromo-6-chloro-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-6-chloro-1-methyl-2,3-dihydroindole
PubChem CID82622881
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name5-bromo-6-chloro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Br)c(Cl)cc21
InChIInChI=1S/C9H9BrClN/c1-12-3-2-6-4-7(10)8(11)5-9(6)12/h4-5H,2-3H2,1H3
InChIKeySAZWHBMYCHEJDK-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-6-chloro-1-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
CID 168923965
7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82399199
6-bromo-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 82387671
6-bromo-1-methyl-3,4-dihydro-2H-quinolin-7-ol
CID 82622123
5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
CID 66312211
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82387669
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 23382331
1,6-dimethyl-2,3-dihydroindole
CID 59833304
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-6-chloro-1-methyl-2,3-dihydroindole (CID 82622881) is 5-bromo-6-chloro-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-6-chloro-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-6-chloro-1-methyl-2,3-dihydroindole is CN1CCc2cc(Br)c(Cl)cc21.
What is the InChIKey of 5-bromo-6-chloro-1-methyl-2,3-dihydroindole?
The InChIKey is SAZWHBMYCHEJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c1-12-3-2-6-4-7(10)8(11)5-9(6)12/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-6-chloro-1-methyl-2,3-dihydroindole?
5-bromo-6-chloro-1-methyl-2,3-dihydroindole has a molecular weight of 246.53 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 82622881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).