6-bromo-2,3-dihydroisoindol-1-one

C8H6BrNO — CID 22220919

IUPAC6-bromo-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(Br)cc21
InChIInChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKeyHYTCKZQYVIURAW-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.69
Rot. Bonds

About 6-bromo-2,3-dihydroisoindol-1-one

6-bromo-2,3-dihydroisoindol-1-one (PubChem CID 22220919) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-bromo-2,3-dihydroisoindol-1-one
PubChem CID22220919
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name6-bromo-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(Br)cc21
InChIInChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKeyHYTCKZQYVIURAW-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
CID 168914120
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330
6-(dimethylamino)-2,3-dihydroisoindol-1-one
CID 50941193
6-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717751
6-bromo-4-[(4-methoxyanilino)methylidene]-1,2-dihydroisoquinolin-3-one
CID 68695767
6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
CID 130611791
2,3-dihydroisoindol-1-one;methane
CID 161271775
6-piperazin-1-yl-2,3-dihydroisoindol-1-one
CID 130366423
6-(2-methylpropanoyl)-2,3-dihydroisoindol-1-one
CID 83881417
2-[(4-bromophenyl)methylsulfonyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
CID 75406107
6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 58296529
6-bromo-2,3-dihydro-1H-indole
CID 13098379

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one (CID 22220919) is 6-bromo-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-bromo-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-bromo-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroisoindol-1-one?
The InChIKey is HYTCKZQYVIURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11).
What are the key properties of 6-bromo-2,3-dihydroisoindol-1-one?
6-bromo-2,3-dihydroisoindol-1-one has a molecular weight of 212.05 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22220919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).