3-chloro-2,4-difluoropyridine

• ChemBase ID: 291883
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: Fc1nccc(F)c1Cl
• Canonical SMILES: Clc1c(F)ccnc1F
• InChI: InChI=1S/C5H2ClF2N/c6-4-3(7)1-2-9-5(4)8/h1-2H
• InChIKey: ALWGESCEYWGLQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 851179-01-6
• PubChem SID: 180677414
• PubChem CID: 23469702

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: 11.010232 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%