1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione

C10H7BrClNO2 — CID 103479649

IUPAC1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C10H7BrClNO2/c11-9-6(12)2-1-3-7(9)13-5-4-8(14)10(13)15/h1-3H,4-5H2
InChIKeyOHIBXXCVOBUFJE-UHFFFAOYSA-N
MW288.53 g/mol
LogP2.41
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione

1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione (PubChem CID 103479649) has the molecular formula C10H7BrClNO2 and a molecular weight of 288.53 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
PubChem CID103479649
Molecular FormulaC10H7BrClNO2
Molecular Weight288.53 g/mol
Exact Mass286.93
IUPAC Name1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C10H7BrClNO2/c11-9-6(12)2-1-3-7(9)13-5-4-8(14)10(13)15/h1-3H,4-5H2
InChIKeyOHIBXXCVOBUFJE-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione (CID 103479649) is 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione is O=C1CCN(c2cccc(Cl)c2Br)C1=O.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione?
The InChIKey is OHIBXXCVOBUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2/c11-9-6(12)2-1-3-7(9)13-5-4-8(14)10(13)15/h1-3H,4-5H2.
What are the key properties of 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione?
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione has a molecular weight of 288.53 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 103479649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).