3-(difluoromethyl)-5-methylpyridine

• ChemBase ID: 66198
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: c1c(cc(cn1)C)C(F)F
• Canonical SMILES: FC(c1cncc(c1)C)F
• InChI: InChI=1S/C7H7F2N/c1-5-2-6(7(8)9)4-10-3-5/h2-4,7H,1H3
• InChIKey: RJKGKVXVLUTGBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethyl)-5-methylpyridine
• IUPAC Traditional name: 3-(difluoromethyl)-5-methylpyridine
• Synonyms: 3-(Difluoromethyl)-5-methyl-pyridine

Database IDs

• MDL Number: MFCD22199303
• PubChem SID: 162031937
• PubChem CID: 60623012

CALCULATED PROPERTIES

• Log P: 1.6580827
• Molar Refractivity: 34.0263 cm^3
• Polarizability: 12.524172 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5703236
• LogD (pH = 7.4): 1.6568282

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%