2-fluoro-5-(4-methoxyphenyl)pyridine

• ChemBase ID: 96810
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: n1c(ccc(c1)c1ccc(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1)c1ccc(nc1)F
• InChI: InChI=1S/C12H10FNO/c1-15-11-5-2-9(3-6-11)10-4-7-12(13)14-8-10/h2-8H,1H3
• InChIKey: IADFLNQUJBKKSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(4-methoxyphenyl)pyridine
• IUPAC Traditional name: 2-fluoro-5-(4-methoxyphenyl)pyridine
• Synonyms: 2-Fluoro-5-(4-methoxyphenyl)pyridine

Database IDs

• MDL Number: MFCD09907672
• PubChem SID: 162083456
• PubChem CID: 26985626

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.78176
• LogD (pH = 7.4): 2.78176
• Log P: 2.78176
• Molar Refractivity: 56.7316 cm^3
• Polarizability: 22.540854 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant