3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione

C11H8BrNO3 — CID 54300547

IUPAC3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Br)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H8BrNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-5H,1H3,(H,13,14,15)
InChIKeySDWIQZDMZSVGSX-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.50
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione

3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 54300547) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID54300547
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Br)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H8BrNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-5H,1H3,(H,13,14,15)
InChIKeySDWIQZDMZSVGSX-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.50
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

1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
CID 54967851
3-(2,4,6-tribromophenyl)pyrrole-2,5-dione
CID 22392309
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
5-bromo-2-methoxy(14C)benzoic acid
CID 10752081
2,7-dibromo-4-methoxyfluoren-9-one
CID 175173621
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132591524
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione (CID 54300547) is 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(Br)cc1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is SDWIQZDMZSVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-16-9-3-2-6(12)4-7(9)8-5-10(14)13-11(8)15/h2-5H,1H3,(H,13,14,15).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione?
3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 282.09 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 54300547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).