2-(difluoromethyl)-6-methylpyridine

• ChemBase ID: 66172
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: c1(cccc(n1)C)C(F)F
• Canonical SMILES: Cc1cccc(n1)C(F)F
• InChI: InChI=1S/C7H7F2N/c1-5-3-2-4-6(10-5)7(8)9/h2-4,7H,1H3
• InChIKey: QUEDRKKLXVSNPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethyl)-6-methylpyridine
• IUPAC Traditional name: 2-(difluoromethyl)-6-methylpyridine
• Synonyms: 2-(Difluoromethyl)-6-methylpyridine

Database IDs

• CAS Number: 1029691-30-2
• MDL Number: MFCD16140193
• PubChem SID: 162031911
• PubChem CID: 54772274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4301527
• LogD (pH = 7.4): 1.4329519
• Log P: 1.4329877
• Molar Refractivity: 33.2229 cm^3
• Polarizability: 12.526582 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%