3-fluoro-2-methylpyridine

• ChemBase ID: 97616
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: n1c(c(ccc1)F)C
• Canonical SMILES: Fc1cccnc1C
• InChI: InChI=1S/C6H6FN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
• InChIKey: IRIHSZDBTACXCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methylpyridine
• IUPAC Traditional name: 3-fluoro-2-methylpyridine
• Synonyms: 3-Fluoro-2-picoline; 3-Fluoro-2-methylpyridine

Database IDs

• CAS Number: 15931-15-4
• PubChem SID: 162084212
• PubChem CID: 21613172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.023488
• LogD (pH = 7.4): 1.0295674
• Log P: 1.0296454
• Molar Refractivity: 28.709 cm^3
• Polarizability: 10.87044 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%