3,5-dibromo-2-chloropyrazine

• ChemBase ID: 68283
• Molecular Formular: C4HBr2ClN2
• Molecular Mass: 272.32514
• Monoisotopic Mass: 269.81949972
• SMILES: c1(c(nc(cn1)Br)Br)Cl
• Canonical SMILES: Brc1cnc(c(n1)Br)Cl
• InChI: InChI=1S/C4HBr2ClN2/c5-2-1-8-4(7)3(6)9-2/h1H
• InChIKey: WNZURIDUDWMEKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chloropyrazine
• IUPAC Traditional name: 3,5-dibromo-2-chloropyrazine
• Synonyms: 3,5-Dibromo-2-chloropyrazine; 2-Chloro-3,5-dibromopyrazine

Database IDs

• CAS Number: 1082843-70-6
• MDL Number: MFCD13193367
• PubChem SID: 162034015
• PubChem CID: 53350358

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: 16.899107 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%

DETAILS

Toronto Research Chemicals - D425230

An intermediate used for the 1) preparation of a number of salts of fused pyrazine derivative for treatment of degenerative and inflammatory diseases, 2) preparation of a number of pyridine and pyrazine derivatives as protein kinase modulators for the tre