4-bromo-7-chloro-2,3-dihydro-1H-isoindole

C8H7BrClN — CID 130064557

IUPAC4-bromo-7-chloro-2,3-dihydro-1H-isoindole
SMILESClc1ccc(Br)c2c1CNC2
InChIInChI=1S/C8H7BrClN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2
InChIKeyZZKVXMUNJMIVAN-UHFFFAOYSA-N
MW232.51 g/mol
LogP2.71
Rot. Bonds

About 4-bromo-7-chloro-2,3-dihydro-1H-isoindole

4-bromo-7-chloro-2,3-dihydro-1H-isoindole (PubChem CID 130064557) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 4-bromo-7-chloro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-bromo-7-chloro-2,3-dihydro-1H-isoindole
PubChem CID130064557
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name4-bromo-7-chloro-2,3-dihydro-1H-isoindole
SMILESClc1ccc(Br)c2c1CNC2
InChIInChI=1S/C8H7BrClN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2
InChIKeyZZKVXMUNJMIVAN-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

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CID 44228644
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2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
5-Bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 165891811
5-Bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 66157686
2-(3-Bromo-6-chloro-2-fluorophenyl)pyrrolidine
CID 84811433
2-(6-Bromo-3-chloro-2-fluorophenyl)pyrrolidine
CID 117446831
[6-Bromo-3-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013658
[3-Bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013867
4-bromo-5-chloro-2,3-dihydro-1H-isoindole
CID 23346414
5-bromo-4-chloro-2,3-dihydro-1H-isoindole
CID 23346416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-bromo-7-chloro-2,3-dihydro-1H-isoindole (CID 130064557) is 4-bromo-7-chloro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-bromo-7-chloro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-bromo-7-chloro-2,3-dihydro-1H-isoindole is Clc1ccc(Br)c2c1CNC2.
What is the InChIKey of 4-bromo-7-chloro-2,3-dihydro-1H-isoindole?
The InChIKey is ZZKVXMUNJMIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2.
What are the key properties of 4-bromo-7-chloro-2,3-dihydro-1H-isoindole?
4-bromo-7-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-7-chloro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130064557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).