5-fluoro-2-methylpyridine

• ChemBase ID: 16366
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1(cnc(cc1)C)F
• Canonical SMILES: Cc1ccc(cn1)F
• InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
• InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methylpyridine
• IUPAC Traditional name: 5-fluoro-2-methylpyridine
• Synonyms: 5-Fluoro-2-methylpyridine; 5-Fluoro-2-picoline; 5-Fluoro-2-methylpyridine 98+%

Database IDs

• CAS Number: 31181-53-0
• MDL Number: MFCD08277237; MFCD03095271
• PubChem SID: 160979673
• PubChem CID: 2762863

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0273153
• LogD (pH = 7.4): 1.0296161
• Log P: 1.0296454
• Molar Refractivity: 28.709 cm^3
• Polarizability: 10.869153 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 96%; 98%