2,4-difluoro-6-methylpyridine

• ChemBase ID: 292442
• Molecular Formular: C6H5F2N
• Molecular Mass: 129.1074064
• Monoisotopic Mass: 129.03900561
• SMILES: Cc1cc(F)cc(F)n1
• Canonical SMILES: Fc1cc(C)nc(c1)F
• InChI: InChI=1S/C6H5F2N/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
• InChIKey: ZFQQJBUDQPEFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-6-methylpyridine
• IUPAC Traditional name: 2,4-difluoro-6-methylpyridine
• Synonyms: 2,4-Difluoro-6-methylpyridine

Database IDs

• CAS Number: 83261-73-8
• PubChem SID: 180677973
• PubChem CID: 20455872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5662776
• LogD (pH = 7.4): 1.5662781
• Log P: 1.5662781
• Molar Refractivity: 29.9401 cm^3
• Polarizability: 10.671776 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%