4-chloro-2-fluoro-6-methylpyridine

• ChemBase ID: 292441
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: Cc1cc(Cl)cc(F)n1
• Canonical SMILES: Clc1cc(C)nc(c1)F
• InChI: InChI=1S/C6H5ClFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
• InChIKey: JEHVOZRHAXDMPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-fluoro-6-methylpyridine
• IUPAC Traditional name: 4-chloro-2-fluoro-6-methylpyridine
• Synonyms: 4-Chloro-2-fluoro-6-methylpyridine

Database IDs

• CAS Number: 1227509-42-3
• PubChem SID: 180677972
• PubChem CID: 70701054

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0276208
• LogD (pH = 7.4): 2.0276208
• Log P: 2.0276208
• Molar Refractivity: 34.5285 cm^3
• Polarizability: 12.822396 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%