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

• ChemBase ID: 116759
• Molecular Formular: C12H9ClFNO
• Molecular Mass: 237.6573632
• Monoisotopic Mass: 237.03566981
• SMILES: c1(ncccc1OCc1ccc(F)cc1)Cl
• Canonical SMILES: Fc1ccc(cc1)COc1cccnc1Cl
• InChI: InChI=1S/C12H9ClFNO/c13-12-11(2-1-7-15-12)16-8-9-3-5-10(14)6-4-9/h1-7H,8H2
• InChIKey: LISHXDYYMSLNEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11986849
• PubChem SID: 162101833
• PubChem CID: 33679098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2892823
• LogD (pH = 7.4): 3.2892988
• Log P: 3.289299
• Molar Refractivity: 61.0594 cm^3
• Polarizability: 23.175468 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.566

Product Information

• Purity: 93%