3-fluoro-4-methoxypyridine

• ChemBase ID: 290422
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: COc1c(F)cncc1
• Canonical SMILES: COc1ccncc1F
• InChI: InChI=1S/C6H6FNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
• InChIKey: XYTUUTJNWFECNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-methoxypyridine
• IUPAC Traditional name: 3-fluoro-4-methoxypyridine
• Synonyms: 3-Fluoro-4-methoxy-pyridine; 3-fluoro-4-methoxypyridine

Database IDs

• CAS Number: 1060805-03-9
• PubChem SID: 180675953
• PubChem CID: 57336639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7195225
• LogD (pH = 7.4): 0.74033064
• Log P: 0.74060404
• Molar Refractivity: 30.5807 cm^3
• Polarizability: 11.669442 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%