2-(chloromethyl)-5-methoxypyrazine

• ChemBase ID: 814307
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1c(ncc(n1)OC)CCl
• Canonical SMILES: ClCc1ncc(nc1)OC
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-4-8-5(2-7)3-9-6/h3-4H,2H2,1H3
• InChIKey: RDZSXLXGRSWNAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-methoxypyrazine
• IUPAC Traditional name: 2-(chloromethyl)-5-methoxypyrazine
• Synonyms: 2-(chloromethyl)-5-methoxypyrazine

Database IDs

• CAS Number: 1196156-90-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6434009
• LogD (pH = 7.4): 0.6434012
• Log P: 0.6434012
• Molar Refractivity: 37.8656 cm^3
• Polarizability: 14.784652 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%