2-chloro-4,5-difluoropyridine

• ChemBase ID: 799174
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: n1c(cc(c(c1)F)F)Cl
• Canonical SMILES: Clc1ncc(c(c1)F)F
• InChI: InChI=1S/C5H2ClF2N/c6-5-1-3(7)4(8)2-9-5/h1-2H
• InChIKey: NKHHRTHUHYUPCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-difluoropyridine
• IUPAC Traditional name: 2-chloro-4,5-difluoropyridine
• Synonyms: 2-chloro-4,5-difluoropyridine

Database IDs

• CAS Number: 511522-70-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8651991
• LogD (pH = 7.4): 1.8651991
• Log P: 1.8651991
• Molar Refractivity: 30.2 cm^3
• Polarizability: 11.003503 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%