2-chloro-5-fluoro-4-methylpyridine

• ChemBase ID: 68196
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: c1(cc(c(cn1)F)C)Cl
• Canonical SMILES: Clc1ncc(c(c1)C)F
• InChI: InChI=1S/C6H5ClFN/c1-4-2-6(7)9-3-5(4)8/h2-3H,1H3
• InChIKey: HWDRAVIZSYVICK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 881891-83-4
• MDL Number: MFCD09864695
• PubChem SID: 162033928
• PubChem CID: 26986174

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.235918
• LogD (pH = 7.4): 2.2359185
• Log P: 2.2359185
• Molar Refractivity: 35.0248 cm^3
• Polarizability: 12.870054 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: 95+%