N'-(5-chloro-3-fluoropyridin-2-yl)acetohydrazide

• ChemBase ID: 291026
• Molecular Formular: C7H7ClFN3O
• Molecular Mass: 203.6013832
• Monoisotopic Mass: 203.02616776
• SMILES: CC(=O)NNc1ncc(Cl)cc1F
• Canonical SMILES: CC(=O)NNc1ncc(cc1F)Cl
• InChI: InChI=1S/C7H7ClFN3O/c1-4(13)11-12-7-6(9)2-5(8)3-10-7/h2-3H,1H3,(H,10,12)(H,11,13)
• InChIKey: NNYOKSGJLISDRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(5-chloro-3-fluoropyridin-2-yl)acetohydrazide
• IUPAC Traditional name: N'-(5-chloro-3-fluoropyridin-2-yl)acetohydrazide
• Synonyms: N'-(5-Chloro-3-fluoropyridin-2-yl)acetohydrazide

Database IDs

• CAS Number: 1150561-82-2
• PubChem SID: 180676557
• PubChem CID: 46739462

CALCULATED PROPERTIES

• Acid pKa: 10.684942
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1954188
• LogD (pH = 7.4): 1.1952466
• Log P: 1.1954465
• Molar Refractivity: 47.3243 cm^3
• Polarizability: 17.217209 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%