3-fluoro-4-methoxy-2-methylpyridine

• ChemBase ID: 799118
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: n1c(c(c(cc1)OC)F)C
• Canonical SMILES: COc1ccnc(c1F)C
• InChI: InChI=1S/C7H8FNO/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3
• InChIKey: OTKXAWZFPNCGHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-methoxy-2-methylpyridine
• IUPAC Traditional name: 3-fluoro-4-methoxy-2-methylpyridine
• Synonyms: 3-fluoro-4-methoxy-2-methylpyridine

Database IDs

• CAS Number: 375368-86-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6947007
• LogD (pH = 7.4): 0.8691759
• Log P: 0.87197423
• Molar Refractivity: 35.1722 cm^3
• Polarizability: 13.420579 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%