2-(chloromethyl)-3-fluoropyridine

• ChemBase ID: 815670
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(c(ccc1)F)CCl
• Canonical SMILES: ClCc1ncccc1F
• InChI: InChI=1S/C6H5ClFN/c7-4-6-5(8)2-1-3-9-6/h1-3H,4H2
• InChIKey: VACDDNDGSMRWPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-3-fluoropyridine
• IUPAC Traditional name: 2-(chloromethyl)-3-fluoropyridine
• Synonyms: 2-(chloromethyl)-3-fluoropyridine

Database IDs

• CAS Number: 149489-32-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5669161
• LogD (pH = 7.4): 1.5669883
• Log P: 1.5669893
• Molar Refractivity: 33.4622 cm^3
• Polarizability: 12.838648 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%