3-fluoro-5-methylpyridine

• ChemBase ID: 70863
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1c(cc(cn1)C)F
• Canonical SMILES: Cc1cncc(c1)F
• InChI: InChI=1S/C6H6FN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3
• InChIKey: CKQXPRSCSFUGRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methylpyridine
• IUPAC Traditional name: 3-fluoro-5-methylpyridine
• Synonyms: 3-Fluoro-5-methylpyridine

Database IDs

• CAS Number: 407-21-6
• MDL Number: MFCD03095273
• PubChem SID: 162036571
• PubChem CID: 2762892

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4097652
• LogD (pH = 7.4): 1.4116724
• Log P: 1.4116967
• Molar Refractivity: 29.1587 cm^3
• Polarizability: 10.869118 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%