4-(chloromethyl)-2-fluoropyridine

• ChemBase ID: 802127
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(cc(cc1)CCl)F
• Canonical SMILES: ClCc1ccnc(c1)F
• InChI: InChI=1S/C6H5ClFN/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
• InChIKey: OMHRYXJIMNXMSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 155705-46-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8794479
• LogD (pH = 7.4): 1.879448
• Log P: 1.879448
• Molar Refractivity: 34.9991 cm^3
• Polarizability: 12.837029 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%