3-chloro-2-fluoro-5-methylpyridine

• ChemBase ID: 100132
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(c(cc(c1)C)Cl)F
• Canonical SMILES: Cc1cnc(c(c1)Cl)F
• InChI: InChI=1S/C6H5ClFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
• InChIKey: ZMBBHQSOSMAMTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-fluoro-5-methylpyridine
• IUPAC Traditional name: 3-chloro-2-fluoro-5-methylpyridine
• Synonyms: 3-Chloro-2-fluoro-5-methylpyridine

Database IDs

• MDL Number: MFCD09998198
• PubChem SID: 162086610
• PubChem CID: 26986240

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: 12.854334 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic