5-bromo-2,3-dihydro-1H-isoindole

C8H8BrN — CID 14795871

IUPAC5-bromo-2,3-dihydro-1H-isoindole
SMILESBrc1ccc2c(c1)CNC2
InChIInChI=1S/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
InChIKeyKJCXRORGYAHAAH-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.05
Rot. Bonds

About 5-bromo-2,3-dihydro-1H-isoindole

5-bromo-2,3-dihydro-1H-isoindole (PubChem CID 14795871) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-isoindole
PubChem CID14795871
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name5-bromo-2,3-dihydro-1H-isoindole
SMILESBrc1ccc2c(c1)CNC2
InChIInChI=1S/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
InChIKeyKJCXRORGYAHAAH-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindoline
CID 422478
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-bromo-2,3-dihydro-1H-isoindole (CID 14795871) is 5-bromo-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-isoindole is Brc1ccc2c(c1)CNC2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-isoindole?
The InChIKey is KJCXRORGYAHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-isoindole?
5-bromo-2,3-dihydro-1H-isoindole has a molecular weight of 198.06 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 14795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).