2,6-dibromo-2H-pyrazin-3-one

C4H2Br2N2O — CID 73317568

IUPAC2,6-dibromo-2H-pyrazin-3-one
SMILESO=C1N=CC(Br)=NC1Br
InChIInChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1,3H
InChIKeyLLJQSMHMDJZSLD-UHFFFAOYSA-N
MW253.88 g/mol
LogP1.11
Rot. Bonds

About 2,6-dibromo-2H-pyrazin-3-one

2,6-dibromo-2H-pyrazin-3-one (PubChem CID 73317568) has the molecular formula C4H2Br2N2O and a molecular weight of 253.88 g/mol. Its IUPAC name is 2,6-dibromo-2H-pyrazin-3-one.

Molecular Properties

Compound Name2,6-dibromo-2H-pyrazin-3-one
PubChem CID73317568
Molecular FormulaC4H2Br2N2O
Molecular Weight253.88 g/mol
Exact Mass251.85
IUPAC Name2,6-dibromo-2H-pyrazin-3-one
SMILESO=C1N=CC(Br)=NC1Br
InChIInChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1,3H
InChIKeyLLJQSMHMDJZSLD-UHFFFAOYSA-N
XLogP1.11
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.88
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,6-dibromo-2H-pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-2H-pyrazin-3-one?
The IUPAC name of 2,6-dibromo-2H-pyrazin-3-one (CID 73317568) is 2,6-dibromo-2H-pyrazin-3-one.
What is the SMILES notation for 2,6-dibromo-2H-pyrazin-3-one?
The canonical SMILES for 2,6-dibromo-2H-pyrazin-3-one is O=C1N=CC(Br)=NC1Br.
What is the InChIKey of 2,6-dibromo-2H-pyrazin-3-one?
The InChIKey is LLJQSMHMDJZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1,3H.
What are the key properties of 2,6-dibromo-2H-pyrazin-3-one?
2,6-dibromo-2H-pyrazin-3-one has a molecular weight of 253.88 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-2H-pyrazin-3-one is sourced from PubChem (CID 73317568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).