6-bromo-4-chloro-2,3-dihydro-1H-isoindole

C8H7BrClN — CID 130064556

IUPAC6-bromo-4-chloro-2,3-dihydro-1H-isoindole
SMILESClc1cc(Br)cc2c1CNC2
InChIInChI=1S/C8H7BrClN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyVUDOFPSGUXCILZ-UHFFFAOYSA-N
MW232.51 g/mol
LogP2.71
Rot. Bonds

About 6-bromo-4-chloro-2,3-dihydro-1H-isoindole

6-bromo-4-chloro-2,3-dihydro-1H-isoindole (PubChem CID 130064556) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 6-bromo-4-chloro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-bromo-4-chloro-2,3-dihydro-1H-isoindole
PubChem CID130064556
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name6-bromo-4-chloro-2,3-dihydro-1H-isoindole
SMILESClc1cc(Br)cc2c1CNC2
InChIInChI=1S/C8H7BrClN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyVUDOFPSGUXCILZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2,3-dihydro-1H-isoindole hydrochloride
CID 49853471
6-Bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 116488624
7-Bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline
CID 83900075
4-bromo-7-chloro-2,3-dihydro-1H-isoindole
CID 130064557
2-(4-Bromo-2-chlorophenyl)pyrrolidine hydrochloride
CID 134690691
2-(3-Bromo-5-chlorophenyl)pyrrolidine hydrochloride
CID 137964098
7-Bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 137964647
6-Bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
CID 150171538
6-Bromo-4-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 151278709
1-(6-Bromo-4-chloro-1,3-dihydroisoindol-2-yl)-2,2,2-trifluoroethanone
CID 171615138
2-(4-Bromo-2-chlorophenyl)pyrrolidine
CID 43805463
2-(3-Bromo-5-chlorophenyl)pyrrolidine
CID 83735489

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-bromo-4-chloro-2,3-dihydro-1H-isoindole (CID 130064556) is 6-bromo-4-chloro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-bromo-4-chloro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-bromo-4-chloro-2,3-dihydro-1H-isoindole is Clc1cc(Br)cc2c1CNC2.
What is the InChIKey of 6-bromo-4-chloro-2,3-dihydro-1H-isoindole?
The InChIKey is VUDOFPSGUXCILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2.
What are the key properties of 6-bromo-4-chloro-2,3-dihydro-1H-isoindole?
6-bromo-4-chloro-2,3-dihydro-1H-isoindole has a molecular weight of 232.51 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130064556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).