2-hydrazinyl-6-methyl-4-(trifluoromethyl)pyridine

• ChemBase ID: 7428
• Molecular Formular: C7H8F3N3
• Molecular Mass: 191.1537296
• Monoisotopic Mass: 191.06703193
• SMILES: c1c(nc(cc1C(F)(F)F)NN)C
• Canonical SMILES: NNc1nc(C)cc(c1)C(F)(F)F
• InChI: InChI=1S/C7H8F3N3/c1-4-2-5(7(8,9)10)3-6(12-4)13-11/h2-3H,11H2,1H3,(H,12,13)
• InChIKey: MBJJCIYNRRPIGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6-methyl-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-6-methyl-4-(trifluoromethyl)pyridine
• Synonyms: 1-[6-methyl-4-(trifluoromethyl)-2-pyridyl]hydrazine; 6-Methyl-4-(trifluoromethyl)pyrid-2-yl hydrazine; 2-Hydrazino-6-methyl-4-(trifluoromethyl)pyridine; 6-Methyl-4-(trifluoromethyl)pyridin-2-ylhydrazine 97%

Database IDs

• CAS Number: 22123-09-7
• MDL Number: MFCD00052901
• PubChem SID: 160970735
• PubChem CID: 2775684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.1864287
• LogD (pH = 7.4): 0.4398438
• Log P: 1.7508922
• Molar Refractivity: 44.4865 cm^3
• Polarizability: 15.027037 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-83°C

Safety Information

• Storage Warning: Harmful
• TSCA Listed: false

Product Information

• Purity: 97%