3-fluoro-2-methoxy-6-methylpyridine

• ChemBase ID: 293602
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: Cc1ccc(F)c(OC)n1
• Canonical SMILES: COc1nc(C)ccc1F
• InChI: InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3
• InChIKey: DAQMWRIPXIPMAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methoxy-6-methylpyridine
• IUPAC Traditional name: 3-fluoro-2-methoxy-6-methylpyridine
• Synonyms: 3-Fluoro-2-methoxy-6-methylpyridine

Database IDs

• CAS Number: 375368-80-2
• MDL Number: MFCD03095083
• PubChem SID: 180679133
• PubChem CID: 24820319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.466402
• LogD (pH = 7.4): 1.4664314
• Log P: 1.4664317
• Molar Refractivity: 35.4857 cm^3
• Polarizability: 13.42495 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%