4-chloro-2-[(3-fluorophenyl)methoxy]pyridine

• ChemBase ID: 796690
• Molecular Formular: C12H9ClFNO
• Molecular Mass: 237.6573632
• Monoisotopic Mass: 237.03566981
• SMILES: n1c(cc(cc1)Cl)OCc1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)COc1nccc(c1)Cl
• InChI: InChI=1S/C12H9ClFNO/c13-10-4-5-15-12(7-10)16-8-9-2-1-3-11(14)6-9/h1-7H,8H2
• InChIKey: LXZXPGNXZVPPNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-[(3-fluorophenyl)methoxy]pyridine
• IUPAC Traditional name: 4-chloro-2-[(3-fluorophenyl)methoxy]pyridine
• Synonyms: 4-Chloro-2-((3-fluorobenzyl)oxy)pyridine

Database IDs

• CAS Number: 1346707-07-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6634946
• LogD (pH = 7.4): 3.6635783
• Log P: 3.6635795
• Molar Refractivity: 60.3116 cm^3
• Polarizability: 23.104706 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%