2-chloro-5-ethylpyrazine

• ChemBase ID: 801770
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1c(ncc(n1)CC)Cl
• Canonical SMILES: CCc1cnc(cn1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-2-5-3-9-6(7)4-8-5/h3-4H,2H2,1H3
• InChIKey: UHJVXIBBGDBZGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethylpyrazine
• IUPAC Traditional name: 2-chloro-5-ethylpyrazine
• Synonyms: 2-CHLORO-5-ETHYLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1940266
• LogD (pH = 7.4): 1.1940289
• Log P: 1.1940289
• Molar Refractivity: 36.8287 cm^3
• Polarizability: 14.103066 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%