2-bromo-5-ethoxypyrazine

• ChemBase ID: 804969
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1c(ncc(n1)OCC)Br
• Canonical SMILES: CCOc1cnc(cn1)Br
• InChI: InChI=1S/C6H7BrN2O/c1-2-10-6-4-8-5(7)3-9-6/h3-4H,2H2,1H3
• InChIKey: HWIJBTHXRWXTMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-ethoxypyrazine
• IUPAC Traditional name: 2-bromo-5-ethoxypyrazine
• Synonyms: 2-BROMO-5-ETHOXYPYRAZINE

Database IDs

• CAS Number: 1060803-83-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3057698
• LogD (pH = 7.4): 1.3057698
• Log P: 1.3057698
• Molar Refractivity: 41.7345 cm^3
• Polarizability: 15.916636 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%