5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione

C14H8BrNO3 — CID 747051

IUPAC5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C14H8BrNO3/c15-8-5-6-9-10(7-8)14(19)16(13(9)18)11-3-1-2-4-12(11)17/h1-7,17H
InChIKeyIQXLVAXSQBGKFW-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.96
Rot. Bonds1

About 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione

5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 747051) has the molecular formula C14H8BrNO3 and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione
PubChem CID747051
Molecular FormulaC14H8BrNO3
Molecular Weight318.13 g/mol
Exact Mass316.97
IUPAC Name5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C14H8BrNO3/c15-8-5-6-9-10(7-8)14(19)16(13(9)18)11-3-1-2-4-12(11)17/h1-7,17H
InChIKeyIQXLVAXSQBGKFW-UHFFFAOYSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Benzisoselenazol-3(2H)-one, 2-(2-hydroxyphenyl)-
CID 3067580
N-(4-Hydroxyphenyl)Phthalimide
CID 252281
N-(o-hydroxyphenyl)phthalimide
CID 237482
4-Bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindoline-1,3-dione
CID 16655080
3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
CID 17385733
5-Bromo-2-(5-chloro-2-hydroxyphenyl)isoindole-1,3-dione
CID 983689
5-Bromo-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 687290
3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CID 690729
5,6-dibromo-2-(2-hydroxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
CID 4415657
4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione
CID 139073309
2-(4-Fluoro-2-hydroxyphenyl)isoindoline-1,3-dione
CID 168327771
5-bromo-2-(2-hydroxy-4-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 757810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione (CID 747051) is 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1O.
What is the InChIKey of 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is IQXLVAXSQBGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO3/c15-8-5-6-9-10(7-8)14(19)16(13(9)18)11-3-1-2-4-12(11)17/h1-7,17H.
What are the key properties of 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione?
5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 318.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 747051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).