5-bromo-7-chloro-2,3-dihydroisoindol-1-one

C8H5BrClNO — CID 70805867

IUPAC5-bromo-7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C8H5BrClNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-2H,3H2,(H,11,12)
InChIKeyUKWIHABKICJINJ-UHFFFAOYSA-N
MW246.49 g/mol
LogP2.35
Rot. Bonds

About 5-bromo-7-chloro-2,3-dihydroisoindol-1-one

5-bromo-7-chloro-2,3-dihydroisoindol-1-one (PubChem CID 70805867) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 5-bromo-7-chloro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-bromo-7-chloro-2,3-dihydroisoindol-1-one
PubChem CID70805867
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name5-bromo-7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C8H5BrClNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-2H,3H2,(H,11,12)
InChIKeyUKWIHABKICJINJ-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2,3-dihydro-1H-isoindol-1-one
CID 22607119
7-chloro-2,3-dihydro-1H-isoindol-1-one
CID 22136835
6-Bromo-2,3-dihydro-1H-isoindol-1-one
CID 22220919
5-Bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 49758024
4-chloro-2,3-dihydro-1H-isoindol-1-one
CID 53404273
4-Bromo-7-chloroisoindolin-1-one
CID 130064759
5-Bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-one
CID 11632807
5-Bromo-7-chloro-2-[(4,4-difluorocyclohexyl)methyl]isoindolin-1-one
CID 57672257
5-Bromo-7-chloro-2-(4-fluoro-benzyl)-2,3-dihydro-isoindol-1-one
CID 57949287
N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide
CID 90078267
7-Chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064722
5-bromo-7-chloro-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-1-one
CID 130406400

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-bromo-7-chloro-2,3-dihydroisoindol-1-one (CID 70805867) is 5-bromo-7-chloro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-bromo-7-chloro-2,3-dihydroisoindol-1-one is O=C1NCc2cc(Br)cc(Cl)c21.
What is the InChIKey of 5-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The InChIKey is UKWIHABKICJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-2H,3H2,(H,11,12).
What are the key properties of 5-bromo-7-chloro-2,3-dihydroisoindol-1-one?
5-bromo-7-chloro-2,3-dihydroisoindol-1-one has a molecular weight of 246.49 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 70805867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).