2-hydrazinyl-6-(trifluoromethyl)pyridine

• ChemBase ID: 100468
• Molecular Formular: C6H6F3N3
• Molecular Mass: 177.1271496
• Monoisotopic Mass: 177.05138187
• SMILES: n1c(cccc1C(F)(F)F)NN
• Canonical SMILES: NNc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-5(11-4)12-10/h1-3H,10H2,(H,11,12)
• InChIKey: PWAIGTRIQMKRHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-6-(trifluoromethyl)pyridine
• Synonyms: [6-(Trifluoromethyl)pyridin-2-yl]hydrazine; 2-Hydrazino-6-(trifluoromethyl)pyridine 97%; 2-hydrazinyl-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 94239-06-2
• MDL Number: MFCD00067866
• PubChem SID: 162086934
• PubChem CID: 13339384

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9383688
• LogD (pH = 7.4): 2.004461
• Log P: 2.0053723
• Molar Refractivity: 39.523 cm^3
• Polarizability: 13.317185 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.852

Safety Information

• Storage Warning: Toxic/Keep Cold/Store under Argon

Product Information

• Purity: 95%