3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione

C11H7BrFNO2 — CID 107590511

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(F)c(Br)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H7BrFNO2/c1-5-2-9(13)8(12)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16)
InChIKeyCINADUAOSJPLNX-UHFFFAOYSA-N
MW284.08 g/mol
LogP1.94
Rot. Bonds1

About 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione

3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione (PubChem CID 107590511) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione
PubChem CID107590511
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(F)c(Br)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H7BrFNO2/c1-5-2-9(13)8(12)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16)
InChIKeyCINADUAOSJPLNX-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione (CID 107590511) is 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione is Cc1cc(F)c(Br)cc1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is CINADUAOSJPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-5-2-9(13)8(12)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16).
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 284.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 107590511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).