1-(2,4,6-tribromophenyl)pyrrole-2,5-dione

C10H4Br3NO2 — CID 3017156

IUPAC1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H4Br3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H
InChIKeyONEIBTGSNPDDSB-UHFFFAOYSA-N
MW409.86 g/mol
LogP3.40
Rot. Bonds1

About 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione

1-(2,4,6-tribromophenyl)pyrrole-2,5-dione (PubChem CID 3017156) has the molecular formula C10H4Br3NO2 and a molecular weight of 409.86 g/mol. Its IUPAC name is 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
PubChem CID3017156
Molecular FormulaC10H4Br3NO2
Molecular Weight409.86 g/mol
Exact Mass406.78
IUPAC Name1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H4Br3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H
InChIKeyONEIBTGSNPDDSB-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione (CID 3017156) is 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione?
The InChIKey is ONEIBTGSNPDDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H.
What are the key properties of 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione?
1-(2,4,6-tribromophenyl)pyrrole-2,5-dione has a molecular weight of 409.86 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 3017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).