4-chloro-2,5-difluoropyridine

• ChemBase ID: 50861
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: c1(cc(c(cn1)F)Cl)F
• Canonical SMILES: Fc1ncc(c(c1)Cl)F
• InChI: InChI=1S/C5H2ClF2N/c6-3-1-5(8)9-2-4(3)7/h1-2H
• InChIKey: SWZRBNKRTCXHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 851386-40-8
• MDL Number: MFCD09031178
• PubChem SID: 162055624
• PubChem CID: 11147812

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: 10.982723 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%