5-bromo-2-chloro-3-methoxypyrazine

• ChemBase ID: 801538
• Molecular Formular: C5H4BrClN2O
• Molecular Mass: 223.45506
• Monoisotopic Mass: 221.91955244
• SMILES: c1(c(ncc(n1)Br)Cl)OC
• Canonical SMILES: COc1nc(Br)cnc1Cl
• InChI: InChI=1S/C5H4BrClN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
• InChIKey: FXXJHKPFEKHKHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloro-3-methoxypyrazine
• IUPAC Traditional name: 5-bromo-2-chloro-3-methoxypyrazine
• Synonyms: 5-BROMO-2-CHLORO-3-METHOXYPYRAZINE

Database IDs

• CAS Number: 89283-94-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7731837
• LogD (pH = 7.4): 1.7731837
• Log P: 1.7731837
• Molar Refractivity: 42.852 cm^3
• Polarizability: 16.217922 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%