N-methyl-5-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 43778
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: c1c(cnc(c1)NC)C(F)(F)F
• Canonical SMILES: CNc1ccc(cn1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c1-11-6-3-2-5(4-12-6)7(8,9)10/h2-4H,1H3,(H,11,12)
• InChIKey: ALRNMRIFTCZDDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: N-methyl-5-(trifluoromethyl)pyridin-2-amine
• Synonyms: N-Methyl-5-(trifluoromethyl)-2-pyridinamine; 2-(Methylamino)-5-(trifluoromethyl)pyridine; N-Methyl-5-(trifluoromethyl)-2-pyridinamine

Database IDs

• CAS Number: 937602-15-8
• MDL Number: MFCD08689790
• PubChem SID: 162048541
• PubChem CID: 18526206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4152792
• LogD (pH = 7.4): 1.6954479
• Log P: 1.7006575
• Molar Refractivity: 40.3821 cm^3
• Polarizability: 13.669859 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93 °C; 91-93°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%