5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione

C14H7BrFNO3 — CID 64782042

IUPAC5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc(O)c(F)c1
InChIInChI=1S/C14H7BrFNO3/c15-7-1-3-9-10(5-7)14(20)17(13(9)19)8-2-4-12(18)11(16)6-8/h1-6,18H
InChIKeyUNAYVTYCAGEBFV-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.09
Rot. Bonds1

About 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione

5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 64782042) has the molecular formula C14H7BrFNO3 and a molecular weight of 336.12 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
PubChem CID64782042
Molecular FormulaC14H7BrFNO3
Molecular Weight336.12 g/mol
Exact Mass334.96
IUPAC Name5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc(O)c(F)c1
InChIInChI=1S/C14H7BrFNO3/c15-7-1-3-9-10(5-7)14(20)17(13(9)19)8-2-4-12(18)11(16)6-8/h1-6,18H
InChIKeyUNAYVTYCAGEBFV-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64782032
5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
CID 4577389
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
CID 7550711
5-bromo-2-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)isoindole-1,3-dione
CID 5204629
4-(3-fluoro-4-hydroxyphenyl)morpholine-3,5-dione
CID 64781864
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
2-(3-fluoro-4-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 64782040
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
CID 1103022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione (CID 64782042) is 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccc(O)c(F)c1.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is UNAYVTYCAGEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFNO3/c15-7-1-3-9-10(5-7)14(20)17(13(9)19)8-2-4-12(18)11(16)6-8/h1-6,18H.
What are the key properties of 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione?
5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 336.12 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 64782042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).