2-(difluoromethoxy)-4,6-dimethylpyridine

• ChemBase ID: 797215
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: n1c(cc(cc1C)C)OC(F)F
• Canonical SMILES: FC(Oc1cc(C)cc(n1)C)F
• InChI: InChI=1S/C8H9F2NO/c1-5-3-6(2)11-7(4-5)12-8(9)10/h3-4,8H,1-2H3
• InChIKey: IAGKOJCNBBXNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-4,6-dimethylpyridine
• IUPAC Traditional name: 2-(difluoromethoxy)-4,6-dimethylpyridine
• Synonyms: 2-(DifluoroMethoxy)-4,6-diMethylpyridine

Database IDs

• CAS Number: 1214379-04-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7554367
• LogD (pH = 7.4): 2.7638018
• Log P: 2.7639093
• Molar Refractivity: 40.3194 cm^3
• Polarizability: 15.03398 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%