4-fluoro-3-methoxypyridine

• ChemBase ID: 814662
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: n1cc(c(cc1)F)OC
• Canonical SMILES: COc1cnccc1F
• InChI: InChI=1S/C6H6FNO/c1-9-6-4-8-3-2-5(6)7/h2-4H,1H3
• InChIKey: RPXRNXIZMOQZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methoxypyridine
• IUPAC Traditional name: 4-fluoro-3-methoxypyridine
• Synonyms: 4-fluoro-3-methoxypyridine

Database IDs

• CAS Number: 629626-46-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.70084214
• LogD (pH = 7.4): 0.7400744
• Log P: 0.74060404
• Molar Refractivity: 30.5807 cm^3
• Polarizability: 11.670808 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%