2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide

• ChemBase ID: 250499
• Molecular Formular: C8H7ClF3N3O2
• Molecular Mass: 269.6082896
• Monoisotopic Mass: 269.01788882
• SMILES: c1(cn(c(=O)c(c1)Cl)CC(=O)NN)C(F)(F)F
• Canonical SMILES: NNC(=O)Cn1cc(cc(c1=O)Cl)C(F)(F)F
• InChI: InChI=1S/C8H7ClF3N3O2/c9-5-1-4(8(10,11)12)2-15(7(5)17)3-6(16)14-13/h1-2H,3,13H2,(H,14,16)
• InChIKey: USZGEUURPOALEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide
• IUPAC Traditional name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetohydrazide
• Synonyms: 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetohydrazide

Database IDs

• MDL Number: MFCD07348577
• PubChem SID: 164306409
• PubChem CID: 7131166

CALCULATED PROPERTIES

• Acid pKa: 10.58558
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.11727653
• LogD (pH = 7.4): -0.11658939
• Log P: -0.11632302
• Molar Refractivity: 55.3387 cm^3
• Polarizability: 19.729872 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.463

Product Information

• Purity: 95%