2-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine

• ChemBase ID: 101941
• Molecular Formular: C7H8F3N3
• Molecular Mass: 191.1537296
• Monoisotopic Mass: 191.06703193
• SMILES: C(c1cc(ncc1)N(N)C)(F)(F)F
• Canonical SMILES: CN(c1nccc(c1)C(F)(F)F)N
• InChI: InChI=1S/C7H8F3N3/c1-13(11)6-4-5(2-3-12-6)7(8,9)10/h2-4H,11H2,1H3
• InChIKey: VQZMGNIWXFDNRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine
• Synonyms: 2-(1-methylhydrazino)-4-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 208720-09-6
• MDL Number: MFCD00052295
• PubChem SID: 162089525
• PubChem CID: 2797184

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22751679
• LogD (pH = 7.4): 1.106985
• Log P: 1.6664382
• Molar Refractivity: 53.7003 cm^3
• Polarizability: 15.092483 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%