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

C8H7BrClN — CID 23346414

IUPAC4-bromo-5-chloro-2,3-dihydro-1H-isoindole
SMILESClc1ccc2c(c1Br)CNC2
InChIInChI=1S/C8H7BrClN/c9-8-6-4-11-3-5(6)1-2-7(8)10/h1-2,11H,3-4H2
InChIKeyXYEQVUFAQBDCLF-UHFFFAOYSA-N
MW232.51 g/mol
LogP2.71
Rot. Bonds

About 4-bromo-5-chloro-2,3-dihydro-1H-isoindole

4-bromo-5-chloro-2,3-dihydro-1H-isoindole (PubChem CID 23346414) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 4-bromo-5-chloro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-bromo-5-chloro-2,3-dihydro-1H-isoindole
PubChem CID23346414
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name4-bromo-5-chloro-2,3-dihydro-1H-isoindole
SMILESClc1ccc2c(c1Br)CNC2
InChIInChI=1S/C8H7BrClN/c9-8-6-4-11-3-5(6)1-2-7(8)10/h1-2,11H,3-4H2
InChIKeyXYEQVUFAQBDCLF-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-bromo-5-chloro-2,3-dihydro-1H-isoindole (CID 23346414) is 4-bromo-5-chloro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-bromo-5-chloro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-bromo-5-chloro-2,3-dihydro-1H-isoindole is Clc1ccc2c(c1Br)CNC2.
What is the InChIKey of 4-bromo-5-chloro-2,3-dihydro-1H-isoindole?
The InChIKey is XYEQVUFAQBDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-8-6-4-11-3-5(6)1-2-7(8)10/h1-2,11H,3-4H2.
What are the key properties of 4-bromo-5-chloro-2,3-dihydro-1H-isoindole?
4-bromo-5-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 4-bromo-5-chloro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 23346414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).