2-hydrazinyl-3-(trifluoromethyl)pyridine

• ChemBase ID: 9267
• Molecular Formular: C6H6F3N3
• Molecular Mass: 177.1271496
• Monoisotopic Mass: 177.05138187
• SMILES: c1(c(nccc1)NN)C(F)(F)F
• Canonical SMILES: NNc1ncccc1C(F)(F)F
• InChI: InChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2,(H,11,12)
• InChIKey: TWPMJXZSKBAITM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-3-(trifluoromethyl)pyridine
• Synonyms: 2-Hydrazino-3-(trifluoromethyl)pyridine; [3-(Trifluoromethyl)pyridin-2-yl]hydrazine; 2-Hydrazino-3-(trifluoromethyl)pyridine 97%

Database IDs

• CAS Number: 89670-83-2; 89570-83-2
• MDL Number: MFCD01320804
• PubChem SID: 160972574
• PubChem CID: 2777776

CALCULATED PROPERTIES

• Acid pKa: 18.267357
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.25967425
• LogD (pH = 7.4): 1.3200113
• Log P: 1.619522
• Molar Refractivity: 39.895 cm^3
• Polarizability: 13.314911 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 65 °C; 71 - 73°C
• Hydrophobicity(logP): 1.674

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%; 95%