6-chloro-3-fluoropyridine-2-carbonitrile

• ChemBase ID: 801760
• Molecular Formular: C6H2ClFN2
• Molecular Mass: 156.5448832
• Monoisotopic Mass: 155.98905397
• SMILES: n1c(c(ccc1Cl)F)C#N
• Canonical SMILES: N#Cc1nc(Cl)ccc1F
• InChI: InChI=1S/C6H2ClFN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H
• InChIKey: BUTQNABZNJWPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-fluoropyridine-2-carbonitrile
• IUPAC Traditional name: 6-chloro-3-fluoropyridine-2-carbonitrile
• Synonyms: 6-CHLORO-3-FLUOROPYRIDINE-2-CARBONITRILE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9644437
• LogD (pH = 7.4): 1.9644437
• Log P: 1.9644437
• Molar Refractivity: 35.3332 cm^3
• Polarizability: 13.008868 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%