2-hydrazinyl-5-(trifluoromethyl)pyridine

• ChemBase ID: 9244
• Molecular Formular: C6H6F3N3
• Molecular Mass: 177.1271496
• Monoisotopic Mass: 177.05138187
• SMILES: C(c1cnc(NN)cc1)(F)(F)F
• Canonical SMILES: NNc1ccc(cn1)C(F)(F)F
• InChI: InChI=1S/C6H6F3N3/c7-6(8,9)4-1-2-5(12-10)11-3-4/h1-3H,10H2,(H,11,12)
• InChIKey: PDRJYGJBOYHPJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-5-(trifluoromethyl)pyridine
• Synonyms: 2-Hydrazinyl-5-(trifluoromethyl)pyridine; 5-(Trifluoromethyl)pyridin-2-ylhydrazine; 2-Hydrazino-5-(trifluoromethyl)pyridine 97%; 1-(5-(Trifluoromethyl)pyridin-2-yl)hydrazine; (5-Trifluoromethyl-pyridin-2-yl)-hydrazine

Database IDs

• CAS Number: 89570-85-4; 163620-24-4
• MDL Number: MFCD00236724
• PubChem SID: 160972551
• PubChem CID: 1477642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3333492
• LogD (pH = 7.4): 1.4200028
• Log P: 1.619522
• Molar Refractivity: 39.895 cm^3
• Polarizability: 13.314238 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60 °C; 61 - 63°C
• Hydrophobicity(logP): 1.852

Safety Information

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

Product Information

• Purity: >95%; 95%; 97%