(Z)-N'-hydroxy-2-(pyridin-2-yl)ethenimidamide

• ChemBase ID: 266288
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=N\O)(/Cc1ncccc1)\N
• Canonical SMILES: O/N=C(/Cc1ccccn1)\N
• InChI: InChI=1S/C7H9N3O/c8-7(10-11)5-6-3-1-2-4-9-6/h1-4,11H,5H2,(H2,8,10)
• InChIKey: PXMSSPLOGAKGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(pyridin-2-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(pyridin-2-yl)ethenimidamide
• Synonyms: N'-hydroxy-2-(pyridin-2-yl)ethanimidamide

Database IDs

• MDL Number: MFCD05663233
• PubChem SID: 164322198
• PubChem CID: 13092085

CALCULATED PROPERTIES

• Acid pKa: 10.65997
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.035205223
• LogD (pH = 7.4): 0.037537117
• Log P: 0.038875844
• Molar Refractivity: 40.6027 cm^3
• Polarizability: 15.674388 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%