2-chloro-6-(trifluoromethyl)pyrazine

• ChemBase ID: 813794
• Molecular Formular: C5H2ClF3N2
• Molecular Mass: 182.5309896
• Monoisotopic Mass: 181.98586041
• SMILES: c1c(nc(cn1)C(F)(F)F)Cl
• Canonical SMILES: FC(c1cncc(n1)Cl)(F)F
• InChI: InChI=1S/C5H2ClF3N2/c6-4-2-10-1-3(11-4)5(7,8)9/h1-2H
• InChIKey: ZCRFOAFODJMVOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(trifluoromethyl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(trifluoromethyl)pyrazine
• Synonyms: 2-chloro-6-(trifluoromethyl)pyrazine

Database IDs

• CAS Number: 61655-69-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6258216
• LogD (pH = 7.4): 1.6258216
• Log P: 1.6258216
• Molar Refractivity: 33.212 cm^3
• Polarizability: 12.069488 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%