2-(chloromethyl)-4-fluoropyridine

• ChemBase ID: 815160
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(cc(cc1)F)CCl
• Canonical SMILES: Fc1cc(CCl)ncc1
• InChI: InChI=1S/C6H5ClFN/c7-4-6-3-5(8)1-2-9-6/h1-3H,4H2
• InChIKey: FFEPTXWHGIRHKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-fluoropyridine
• IUPAC Traditional name: 2-(chloromethyl)-4-fluoropyridine
• Synonyms: 2-(chloromethyl)-4-fluoropyridine

Database IDs

• CAS Number: 1060809-39-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5594997
• LogD (pH = 7.4): 1.5668942
• Log P: 1.5669893
• Molar Refractivity: 33.4622 cm^3
• Polarizability: 12.837012 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%