2-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetohydrazide

• ChemBase ID: 71283
• Molecular Formular: C8H6Cl2F3N3O
• Molecular Mass: 288.0539496
• Monoisotopic Mass: 286.98400185
• SMILES: C(c1cc(c(nc1)NNC(=O)CCl)Cl)(F)(F)F
• Canonical SMILES: ClCC(=O)NNc1ncc(cc1Cl)C(F)(F)F
• InChI: InChI=1S/C8H6Cl2F3N3O/c9-2-6(17)15-16-7-5(10)1-4(3-14-7)8(11,12)13/h1,3H,2H2,(H,14,16)(H,15,17)
• InChIKey: QVSMDXOYEIBZSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetohydrazide
• IUPAC Traditional name: 2-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetohydrazide
• Synonyms: 2-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetohydrazide; 2-Chloro-N'-[3-chloro-5-(trifluoromethyl)-pyridin-2-yl]acetohydrazide

Database IDs

• MDL Number: MFCD18377864
• PubChem SID: 162036873
• PubChem CID: 66545088

CALCULATED PROPERTIES

• Acid pKa: 9.433539
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.467715
• LogD (pH = 7.4): 2.464391
• Log P: 2.4679368
• Molar Refractivity: 57.8348 cm^3
• Polarizability: 20.837965 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: LMS °C

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >97%; 97%