3-chloro-2,6-difluoropyridine

• ChemBase ID: 51386
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: c1(c(ccc(n1)F)Cl)F
• Canonical SMILES: Fc1ccc(c(n1)F)Cl
• InChI: InChI=1S/C5H2ClF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: BABNLQDXRCOTJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2,6-difluoropyridine
• IUPAC Traditional name: 3-chloro-2,6-difluoropyridine
• Synonyms: 3-Chloro-2,6-difluoropyridine

Database IDs

• CAS Number: 52208-56-7
• MDL Number: MFCD11044285
• PubChem SID: 162056149
• PubChem CID: 12259371

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4328833
• LogD (pH = 7.4): 2.4328833
• Log P: 2.4328833
• Molar Refractivity: 31.1681 cm^3
• Polarizability: 10.985615 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: 98%