N-methyl-6-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 290836
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: FC(c1cccc(NC)n1)(F)F
• Canonical SMILES: CNc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c1-11-6-4-2-3-5(12-6)7(8,9)10/h2-4H,1H3,(H,11,12)
• InChIKey: FOAUSALTDRHMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: N-methyl-6-(trifluoromethyl)pyridin-2-amine
• Synonyms: N-Methyl-6-(trifluoromethyl)pyridin-2-amine

Database IDs

• CAS Number: 1242339-20-3
• PubChem SID: 180676367
• PubChem CID: 50998454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0851047
• LogD (pH = 7.4): 2.0864902
• Log P: 2.0865078
• Molar Refractivity: 40.0101 cm^3
• Polarizability: 13.672828 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%