2-fluoro-3,5-dimethylpyridine

• ChemBase ID: 99281
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: Fc1ncc(cc1C)C
• Canonical SMILES: Cc1cnc(c(c1)C)F
• InChI: InChI=1S/C7H8FN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
• InChIKey: CUDJWROWEHMDIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3,5-dimethylpyridine
• IUPAC Traditional name: 2-fluoro-3,5-dimethylpyridine
• Synonyms: 3,5-Dimethyl-2-fluoropyridine

Database IDs

• CAS Number: 111887-71-9
• PubChem SID: 162085563
• PubChem CID: 13758763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.319047
• LogD (pH = 7.4): 2.3190486
• Log P: 2.319049
• Molar Refractivity: 35.2146 cm^3
• Polarizability: 12.627203 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon