5-(chloromethyl)-2-fluoropyridine

• ChemBase ID: 802134
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: n1c(ccc(c1)CCl)F
• Canonical SMILES: ClCc1ccc(nc1)F
• InChI: InChI=1S/C6H5ClFN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
• InChIKey: QRXZNFSVRLDKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-fluoropyridine
• IUPAC Traditional name: 5-(chloromethyl)-2-fluoropyridine
• Synonyms: 5-(CHLOROMETHYL)-2-FLUOROPYRIDINE

Database IDs

• CAS Number: 315180-15-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.879448
• LogD (pH = 7.4): 1.879448
• Log P: 1.879448
• Molar Refractivity: 34.9991 cm^3
• Polarizability: 12.837321 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%