2-chloro-5-fluoropyrazine

• ChemBase ID: 804856
• Molecular Formular: C4H2ClFN2
• Molecular Mass: 132.5234832
• Monoisotopic Mass: 131.98905397
• SMILES: c1c(ncc(n1)F)Cl
• Canonical SMILES: Fc1ncc(nc1)Cl
• InChI: InChI=1S/C4H2ClFN2/c5-3-1-8-4(6)2-7-3/h1-2H
• InChIKey: GQXQZXMCYFHHOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyrazine
• IUPAC Traditional name: 2-chloro-5-fluoropyrazine
• Synonyms: 2-CHLORO-5-FLUOROPYRAZINE

Database IDs

• CAS Number: 959019-05-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.89875543
• LogD (pH = 7.4): 0.89875543
• Log P: 0.89875543
• Molar Refractivity: 28.8414 cm^3
• Polarizability: 10.350949 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%