2,5-dibromo-3-methoxypyrazine

• ChemBase ID: 804270
• Molecular Formular: C5H4Br2N2O
• Molecular Mass: 267.90606
• Monoisotopic Mass: 265.86903676
• SMILES: c1(c(ncc(n1)Br)Br)OC
• Canonical SMILES: COc1nc(Br)cnc1Br
• InChI: InChI=1S/C5H4Br2N2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
• InChIKey: UCCBMEAEKQVQCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-methoxypyrazine
• IUPAC Traditional name: 2,5-dibromo-3-methoxypyrazine
• Synonyms: 2,5-DIBROMO-3-METHOXYPYRAZINE

Database IDs

• CAS Number: 489431-66-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9232365
• LogD (pH = 7.4): 1.9232365
• Log P: 1.9232365
• Molar Refractivity: 45.4509 cm^3
• Polarizability: 17.360386 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%