3-(2,3,4-tribromophenyl)pyrrole-2,5-dione

C10H4Br3NO2 — CID 22134112

IUPAC3-(2,3,4-tribromophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Br)c(Br)c2Br)C(=O)N1
InChIInChI=1S/C10H4Br3NO2/c11-6-2-1-4(8(12)9(6)13)5-3-7(15)14-10(5)16/h1-3H,(H,14,15,16)
InChIKeyBGDJDKLGGAQCNA-UHFFFAOYSA-N
MW409.86 g/mol
LogP3.01
Rot. Bonds1

About 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione

3-(2,3,4-tribromophenyl)pyrrole-2,5-dione (PubChem CID 22134112) has the molecular formula C10H4Br3NO2 and a molecular weight of 409.86 g/mol. Its IUPAC name is 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3,4-tribromophenyl)pyrrole-2,5-dione
PubChem CID22134112
Molecular FormulaC10H4Br3NO2
Molecular Weight409.86 g/mol
Exact Mass406.78
IUPAC Name3-(2,3,4-tribromophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Br)c(Br)c2Br)C(=O)N1
InChIInChI=1S/C10H4Br3NO2/c11-6-2-1-4(8(12)9(6)13)5-3-7(15)14-10(5)16/h1-3H,(H,14,15,16)
InChIKeyBGDJDKLGGAQCNA-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione (CID 22134112) is 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(Br)c(Br)c2Br)C(=O)N1.
What is the InChIKey of 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione?
The InChIKey is BGDJDKLGGAQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br3NO2/c11-6-2-1-4(8(12)9(6)13)5-3-7(15)14-10(5)16/h1-3H,(H,14,15,16).
What are the key properties of 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione?
3-(2,3,4-tribromophenyl)pyrrole-2,5-dione has a molecular weight of 409.86 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-tribromophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 22134112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).