4-(2-bromoethyl)-2-fluoropyridine

• ChemBase ID: 801699
• Molecular Formular: C7H7BrFN
• Molecular Mass: 204.0395832
• Monoisotopic Mass: 202.97458945
• SMILES: n1c(cc(cc1)CCBr)F
• Canonical SMILES: BrCCc1ccnc(c1)F
• InChI: InChI=1S/C7H7BrFN/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1,3H2
• InChIKey: NFBMHWQTAXDUOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromoethyl)-2-fluoropyridine
• IUPAC Traditional name: 4-(2-bromoethyl)-2-fluoropyridine
• Synonyms: 4-(2-BROMOETHYL)-2-FLUOROPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3536038
• LogD (pH = 7.4): 2.3536046
• Log P: 2.3536046
• Molar Refractivity: 42.7376 cm^3
• Polarizability: 15.583974 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%