2-chloro-5-fluoro-3-methylpyridine

• ChemBase ID: 68139
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: c1(c(cc(cn1)F)C)Cl
• Canonical SMILES: Fc1cnc(c(c1)C)Cl
• InChI: InChI=1S/C6H5ClFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
• InChIKey: FMPYGEFGXUAAKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoro-3-methylpyridine
• IUPAC Traditional name: 2-chloro-5-fluoro-3-methylpyridine
• Synonyms: 2-Chloro-5-fluoro-3-picoline; 2-Chloro-5-fluoro-3-picoline; 2-Chloro-5-fluoro-3-methylpyridine 98%; 2-CHLORO-5-FLUORO-3-METHYLPYRIDINE

Database IDs

• CAS Number: 38186-84-4
• MDL Number: MFCD04972725
• PubChem SID: 162033871
• PubChem CID: 12852014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2359185
• LogD (pH = 7.4): 2.2359185
• Log P: 2.2359185
• Molar Refractivity: 35.0248 cm^3
• Polarizability: 12.869538 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-46°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%