N'-hydroxy-2-(pyridin-3-yl)ethanimidamide

• ChemBase ID: 240533
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=N\O)(/Cc1cnccc1)\N
• Canonical SMILES: O/N=C(/Cc1cccnc1)\N
• InChI: InChI=1S/C7H9N3O/c8-7(10-11)4-6-2-1-3-9-5-6/h1-3,5,11H,4H2,(H2,8,10)
• InChIKey: ZEONASHSZKLJGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-(pyridin-3-yl)ethanimidamide
• IUPAC Traditional name: N'-hydroxy-2-(pyridin-3-yl)ethanimidamide
• Synonyms: N'-hydroxy-2-(pyridin-3-yl)ethanimidamide

Database IDs

• MDL Number: MFCD05663234
• PubChem SID: 164296443
• PubChem CID: 9648379

CALCULATED PROPERTIES

• Acid pKa: 10.968518
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.53004813
• LogD (pH = 7.4): -0.35007042
• Log P: -0.3469745
• Molar Refractivity: 40.9747 cm^3
• Polarizability: 15.673756 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%