4-fluoro-3-methylpyridine

• ChemBase ID: 812836
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: n1cc(c(cc1)F)C
• Canonical SMILES: Cc1cnccc1F
• InChI: InChI=1S/C6H6FN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
• InChIKey: UHNUYEACFGAWEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methylpyridine
• IUPAC Traditional name: 4-fluoro-3-methylpyridine
• Synonyms: 4-FLUORO-3-METHYLPYRIDINE

Database IDs

• CAS Number: 28489-28-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2470659
• LogD (pH = 7.4): 1.409045
• Log P: 1.4116967
• Molar Refractivity: 29.1587 cm^3
• Polarizability: 10.86865 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%