2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine

• ChemBase ID: 8240
• Molecular Formular: C7H8F3N3
• Molecular Mass: 191.1537296
• Monoisotopic Mass: 191.06703193
• SMILES: c1(cnc(cc1)N(N)C)C(F)(F)F
• Canonical SMILES: CN(c1ccc(cn1)C(F)(F)F)N
• InChI: InChI=1S/C7H8F3N3/c1-13(11)6-3-2-5(4-12-6)7(8,9)10/h2-4H,11H2,1H3
• InChIKey: LZYILLLQHBJCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• Synonyms: 1-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)hydrazine; N-[5-(Trifluoromethyl)pyrid-2-yl]-N-methyl-hydrazine; 1-methyl-1-[5-(trifluoromethyl)-2-pyridyl]hydrazine; N-Methyl-N-[5-(trifluoromethyl)pyridin-2-yl]hydrazine; 2-(1-Methylhydrazino)-5-(trifluoromethyl)pyridine 97%

Database IDs

• CAS Number: 163620-24-4
• MDL Number: MFCD00052297
• PubChem SID: 160971547
• PubChem CID: 2777782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4397963
• LogD (pH = 7.4): 1.5160884
• Log P: 1.6664382
• Molar Refractivity: 53.7003 cm^3
• Polarizability: 15.093273 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-55°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%