2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C6H2Br2N2O2 — CID 174808444

IUPAC2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2c([nH]c(Br)c2Br)C1=O
InChIInChI=1S/C6H2Br2N2O2/c7-1-2-3(9-5(1)8)4(11)6(12)10-2/h9H,(H,10,11,12)
InChIKeyWIOSBPFEAZHPQP-UHFFFAOYSA-N
MW293.90 g/mol
LogP1.67
Rot. Bonds

About 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 174808444) has the molecular formula C6H2Br2N2O2 and a molecular weight of 293.90 g/mol. Its IUPAC name is 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID174808444
Molecular FormulaC6H2Br2N2O2
Molecular Weight293.90 g/mol
Exact Mass291.85
IUPAC Name2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2c([nH]c(Br)c2Br)C1=O
InChIInChI=1S/C6H2Br2N2O2/c7-1-2-3(9-5(1)8)4(11)6(12)10-2/h9H,(H,10,11,12)
InChIKeyWIOSBPFEAZHPQP-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.90
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 174808444) is 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2c([nH]c(Br)c2Br)C1=O.
What is the InChIKey of 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is WIOSBPFEAZHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2O2/c7-1-2-3(9-5(1)8)4(11)6(12)10-2/h9H,(H,10,11,12).
What are the key properties of 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 293.90 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 174808444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).