2,2-difluoro-2-(pyridin-2-yl)acetohydrazide

• ChemBase ID: 98434
• Molecular Formular: C7H7F2N3O
• Molecular Mass: 187.1467864
• Monoisotopic Mass: 187.0557183
• SMILES: n1c(cccc1)C(C(=O)NN)(F)F
• Canonical SMILES: NNC(=O)C(c1ccccn1)(F)F
• InChI: InChI=1S/C7H7F2N3O/c8-7(9,6(13)12-10)5-3-1-2-4-11-5/h1-4H,10H2,(H,12,13)
• InChIKey: OSRYCTVAVRNCIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-(pyridin-2-yl)acetohydrazide
• IUPAC Traditional name: 2,2-difluoro-2-(pyridin-2-yl)acetohydrazide
• Synonyms: 2,2-Difluoro-2-pyridin-2-ylacetohydrazide

Database IDs

• PubChem SID: 162105166
• PubChem CID: 45933669

CALCULATED PROPERTIES

• Acid pKa: 7.969554
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.44109872
• LogD (pH = 7.4): 0.3531776
• Log P: 0.44376212
• Molar Refractivity: 41.2618 cm^3
• Polarizability: 15.38538 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold