2-(benzyloxy)-5-chloro-3-fluoropyridine

• ChemBase ID: 795760
• Molecular Formular: C12H9ClFNO
• Molecular Mass: 237.6573632
• Monoisotopic Mass: 237.03566981
• SMILES: n1c(c(cc(c1)Cl)F)OCc1ccccc1
• Canonical SMILES: Clc1cnc(c(c1)F)OCc1ccccc1
• InChI: InChI=1S/C12H9ClFNO/c13-10-6-11(14)12(15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2
• InChIKey: UMRGQFIHBZQARP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-chloro-3-fluoropyridine
• IUPAC Traditional name: 2-(benzyloxy)-5-chloro-3-fluoropyridine
• Synonyms: 2-(Benzyloxy)-5-chloro-3-fluoropyridine

Database IDs

• CAS Number: 1227622-70-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6635792
• LogD (pH = 7.4): 3.6635795
• Log P: 3.6635795
• Molar Refractivity: 60.3116 cm^3
• Polarizability: 23.113523 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%