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

• ChemBase ID: 54000
• Molecular Formular: C6H5ClF3N3
• Molecular Mass: 211.5722096
• Monoisotopic Mass: 211.01240952
• SMILES: c1c(nc(cc1C(F)(F)F)NN)Cl
• Canonical SMILES: NNc1nc(Cl)cc(c1)C(F)(F)F
• InChI: InChI=1S/C6H5ClF3N3/c7-4-1-3(6(8,9)10)2-5(12-4)13-11/h1-2H,11H2,(H,12,13)
• InChIKey: JFACCCFLLFQERY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-hydrazinyl-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-6-hydrazinyl-4-(trifluoromethyl)pyridine
• Synonyms: (6-Chloro-4-(trifluoromethyl)pyridin-2-yl)-hydrazine

Database IDs

• MDL Number: MFCD10568286
• PubChem SID: 162058763
• PubChem CID: 14857939

CALCULATED PROPERTIES

• Acid pKa: 19.752241
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4210787
• LogD (pH = 7.4): 2.4434512
• Log P: 2.443744
• Molar Refractivity: 45.7611 cm^3
• Polarizability: 15.37888 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%