2-(chloromethyl)-6-fluoropyridine

• ChemBase ID: 807640
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(cccc1F)CCl
• Canonical SMILES: ClCc1cccc(n1)F
• InChI: InChI=1S/C6H5ClFN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
• InChIKey: BVTWZGOQNBFJEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-fluoropyridine
• IUPAC Traditional name: 2-(chloromethyl)-6-fluoropyridine
• Synonyms: 2-CHLOROMETHYL-6-FLUOROPYRIDINE

Database IDs

• CAS Number: 315180-16-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.96092
• LogD (pH = 7.4): 1.96092
• Log P: 1.96092
• Molar Refractivity: 34.4769 cm^3
• Polarizability: 12.838504 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%