2-chloro-3-fluoro-6-methylpyridine

• ChemBase ID: 68029
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: c1(c(ccc(n1)C)F)Cl
• Canonical SMILES: Cc1ccc(c(n1)Cl)F
• InChI: InChI=1S/C6H5ClFN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
• InChIKey: BGDYLOGCMJAUHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoro-6-methylpyridine
• IUPAC Traditional name: 2-chloro-3-fluoro-6-methylpyridine
• Synonyms: 2-Chloro-3-fluoro-6-picoline; 2-chloro-3-fluoro-6-methylpyridine

Database IDs

• CAS Number: 374633-32-6
• MDL Number: MFCD03095216
• PubChem SID: 162033761
• PubChem CID: 40418623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8538666
• LogD (pH = 7.4): 1.8538673
• Log P: 1.8538673
• Molar Refractivity: 34.5751 cm^3
• Polarizability: 12.898584 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: 95+%; 98%