5-chloro-3-fluoro-2-methylpyridine

• ChemBase ID: 290627
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: Cc1ncc(Cl)cc1F
• Canonical SMILES: Clc1cnc(c(c1)F)C
• InChI: InChI=1S/C6H5ClFN/c1-4-6(8)2-5(7)3-9-4/h2-3H,1H3
• InChIKey: QMCMUNDFHKSQPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1210868-68-0
• PubChem SID: 180676158
• PubChem CID: 18727793

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6336162
• LogD (pH = 7.4): 1.6336893
• Log P: 1.6336901
• Molar Refractivity: 33.5138 cm^3
• Polarizability: 12.831026 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%