2-chloro-6-(4-methoxyphenyl)pyrazine

• ChemBase ID: 796900
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: c1c(nc(cn1)c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)c1cncc(n1)Cl
• InChI: InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-13-7-11(12)14-10/h2-7H,1H3
• InChIKey: COHSTPWIJRBMGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-methoxyphenyl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(4-methoxyphenyl)pyrazine
• Synonyms: 2-Chloro-6-(4-Methoxyphenyl)pyrazine

Database IDs

• CAS Number: 850221-79-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2375267
• LogD (pH = 7.4): 2.2375271
• Log P: 2.2375271
• Molar Refractivity: 58.8377 cm^3
• Polarizability: 23.946262 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%