3-(4-fluorophenyl)-5-methoxypyridine

• ChemBase ID: 290731
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: COc1cncc(c2ccc(F)cc2)c1
• Canonical SMILES: COc1cncc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C12H10FNO/c1-15-12-6-10(7-14-8-12)9-2-4-11(13)5-3-9/h2-8H,1H3
• InChIKey: RRVNYVUQPJSKNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-5-methoxypyridine
• IUPAC Traditional name: 3-(4-fluorophenyl)-5-methoxypyridine
• Synonyms: 3-(4-Fluorophenyl)-5-methoxypyridine

Database IDs

• CAS Number: 1214374-19-2
• PubChem SID: 180676262
• PubChem CID: 46312993

CALCULATED PROPERTIES

• Polarizability: 22.544859 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.356309
• LogD (pH = 7.4): 2.3874145
• Log P: 2.3878293
• Molar Refractivity: 55.7169 cm^3

PROPERTIES

Product Information

• Purity: 95+%