5-chloro-2-fluoro-4-methylpyridine

• ChemBase ID: 22348
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: c1(cc(c(cn1)Cl)C)F
• Canonical SMILES: Fc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C6H5ClFN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
• InChIKey: BJWYJLJRKBPTBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoro-4-methylpyridine
• IUPAC Traditional name: 5-chloro-2-fluoro-4-methylpyridine
• Synonyms: 5-Chloro-2-fluoro-4-methylpyridine

Database IDs

• CAS Number: 884494-88-6
• MDL Number: MFCD04972410
• PubChem SID: 160985655
• PubChem CID: 40427011

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.409672
• LogD (pH = 7.4): 2.409672
• Log P: 2.409672
• Molar Refractivity: 34.9782 cm^3
• Polarizability: 12.823967 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 98%