4-chloro-2,3-difluoropyridine

• ChemBase ID: 795798
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: n1c(c(c(cc1)Cl)F)F
• Canonical SMILES: Fc1c(Cl)ccnc1F
• InChI: InChI=1S/C5H2ClF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
• InChIKey: RFFJEZRNZLNVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3-difluoropyridine
• IUPAC Traditional name: 4-chloro-2,3-difluoropyridine
• Synonyms: 2,3-Difluoro-4-chloropyridine

Database IDs

• CAS Number: 851178-99-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0389526
• LogD (pH = 7.4): 2.0389526
• Log P: 2.0389526
• Molar Refractivity: 30.1534 cm^3
• Polarizability: 10.979528 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%