(2Z)-2-(N-hydroxyimino)-3-oxo-3-phenyl-N-(pyridin-3-yl)propanamide

• ChemBase ID: 232057
• Molecular Formular: C14H11N3O3
• Molecular Mass: 269.25544
• Monoisotopic Mass: 269.08004123
• SMILES: C(=N\O)(\C(=O)Nc1cnccc1)/C(=O)c1ccccc1
• Canonical SMILES: O/N=C(/C(=O)c1ccccc1)\C(=O)Nc1cccnc1
• InChI: InChI=1S/C14H11N3O3/c18-13(10-5-2-1-3-6-10)12(17-20)14(19)16-11-7-4-8-15-9-11/h1-9,20H,(H,16,19)/b17-12-
• InChIKey: YGTFPZMWQMOGLG-ATVHPVEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(N-hydroxyimino)-3-oxo-3-phenyl-N-(pyridin-3-yl)propanamide
• IUPAC Traditional name: (2Z)-2-(N-hydroxyimino)-3-oxo-3-phenyl-N-(pyridin-3-yl)propanamide
• Synonyms: 2-Hydroxyimino-3-oxo-3-phenyl-N-pyridin-3-yl-propionamide

Database IDs

• MDL Number: MFCD06654933
• PubChem SID: 164287967
• PubChem CID: 6412167

CALCULATED PROPERTIES

• Acid pKa: 2.0756013
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.30971992
• LogD (pH = 7.4): -0.36969492
• Log P: 0.33228377
• Molar Refractivity: 73.5438 cm^3
• Polarizability: 27.237505 Å^3
• Polar Surface Area: 91.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.832

Product Information

• Purity: 95%