2,5-dibromo-3-chloropyrazine

• ChemBase ID: 801534
• Molecular Formular: C4HBr2ClN2
• Molecular Mass: 272.32514
• Monoisotopic Mass: 269.81949972
• SMILES: c1(c(ncc(n1)Br)Br)Cl
• Canonical SMILES: Brc1cnc(c(n1)Cl)Br
• InChI: InChI=1S/C4HBr2ClN2/c5-2-1-8-3(6)4(7)9-2/h1H
• InChIKey: NACQYBDFEPOOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-chloropyrazine
• IUPAC Traditional name: 2,5-dibromo-3-chloropyrazine
• Synonyms: 2,5-DIBROMO-3-CHLOROPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.310672
• LogD (pH = 7.4): 2.310672
• Log P: 2.310672
• Molar Refractivity: 44.5403 cm^3
• Polarizability: 16.900288 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%