4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine

• ChemBase ID: 100805
• Molecular Formular: C5H3ClF3N3
• Molecular Mass: 197.5456296
• Monoisotopic Mass: 196.99675945
• SMILES: n1c(c(c(c(c1F)F)Cl)F)NN
• Canonical SMILES: NNc1nc(F)c(c(c1F)Cl)F
• InChI: InChI=1S/C5H3ClF3N3/c6-1-2(7)4(9)11-5(12-10)3(1)8/h10H2,(H,11,12)
• InChIKey: MUCWNDFNZKLBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine
• IUPAC Traditional name: 4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine
• Synonyms: 4-Chloro-2,3,5-trifluoro-6-hydrazinopyridine

Database IDs

• MDL Number: MFCD08436093
• PubChem SID: 162087815
• PubChem CID: 26986298

CALCULATED PROPERTIES

• Acid pKa: 16.161945
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1630876
• LogD (pH = 7.4): 2.1650877
• Log P: 2.1677547
• Molar Refractivity: 40.39 cm^3
• Polarizability: 13.542029 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic