5-chloro-2-hydrazinyl-3-(trifluoromethyl)pyridine

• ChemBase ID: 101883
• Molecular Formular: C6H5ClF3N3
• Molecular Mass: 211.5722096
• Monoisotopic Mass: 211.01240952
• SMILES: c1(C(F)(F)F)c(ncc(c1)Cl)NN
• Canonical SMILES: NNc1ncc(cc1C(F)(F)F)Cl
• InChI: InChI=1S/C6H5ClF3N3/c7-3-1-4(6(8,9)10)5(13-11)12-2-3/h1-2H,11H2,(H,12,13)
• InChIKey: OYDFLZYOHRCSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydrazinyl-3-(trifluoromethyl)pyridine
• IUPAC Traditional name: 5-chloro-2-hydrazinyl-3-(trifluoromethyl)pyridine
• Synonyms: 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]hydrazine

Database IDs

• CAS Number: 129015-69-6
• MDL Number: MFCD00067867
• PubChem SID: 162088380
• PubChem CID: 2727258

CALCULATED PROPERTIES

• Acid pKa: 18.064344
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9747545
• LogD (pH = 7.4): 2.2191532
• Log P: 2.2235668
• Molar Refractivity: 44.6998 cm^3
• Polarizability: 15.330177 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: TECH