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

C8H8BrN — CID 14795870

IUPAC4-bromo-2,3-dihydro-1H-isoindole
SMILESBrc1cccc2c1CNC2
InChIInChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKeyAMXFGLZWKBYNGE-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.05
Rot. Bonds

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

4-bromo-2,3-dihydro-1H-isoindole (PubChem CID 14795870) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-isoindole
PubChem CID14795870
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name4-bromo-2,3-dihydro-1H-isoindole
SMILESBrc1cccc2c1CNC2
InChIInChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKeyAMXFGLZWKBYNGE-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-bromo-2,3-dihydro-1H-isoindole (CID 14795870) is 4-bromo-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-isoindole is Brc1cccc2c1CNC2.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-isoindole?
The InChIKey is AMXFGLZWKBYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2.
What are the key properties of 4-bromo-2,3-dihydro-1H-isoindole?
4-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 4-bromo-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 14795870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).