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

C9H9BrClN — CID 168923965

IUPAC5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2cc(Cl)c(Br)cc2C1
InChIInChI=1S/C9H9BrClN/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5H2,1H3
InChIKeyGCUJLSVILDKONX-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.05
Rot. Bonds

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

5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole (PubChem CID 168923965) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
PubChem CID168923965
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2cc(Cl)c(Br)cc2C1
InChIInChI=1S/C9H9BrClN/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5H2,1H3
InChIKeyGCUJLSVILDKONX-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole 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 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole (CID 168923965) is 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole is CN1Cc2cc(Cl)c(Br)cc2C1.
What is the InChIKey of 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole?
The InChIKey is GCUJLSVILDKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5H2,1H3.
What are the key properties of 5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole?
5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole has a molecular weight of 246.53 g/mol, XLogP of 3.05, 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-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 168923965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).