2-bromo-5-ethylpyrazine

• ChemBase ID: 815650
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1c(ncc(n1)CC)Br
• Canonical SMILES: CCc1cnc(cn1)Br
• InChI: InChI=1S/C6H7BrN2/c1-2-5-3-9-6(7)4-8-5/h3-4H,2H2,1H3
• InChIKey: CCDAQGHBTWYAMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-ethylpyrazine
• IUPAC Traditional name: 2-bromo-5-ethylpyrazine
• Synonyms: 2-bromo-5-ethylpyrazine

Database IDs

• CAS Number: 1086382-74-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3440793
• LogD (pH = 7.4): 1.3440816
• Log P: 1.3440816
• Molar Refractivity: 39.4276 cm^3
• Polarizability: 15.076051 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%