N-hydroxy-5-methoxypyridine-2-carboximidamide

• ChemBase ID: 294330
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: N=C(NO)c1ncc(OC)cc1
• Canonical SMILES: ONC(=N)c1ccc(cn1)OC
• InChI: InChI=1S/C7H9N3O2/c1-12-5-2-3-6(9-4-5)7(8)10-11/h2-4,11H,1H3,(H2,8,10)
• InChIKey: ORAOLRMCSKVOSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-5-methoxypyridine-2-carboximidamide
• IUPAC Traditional name: N-hydroxy-5-methoxypyridine-2-carboximidamide
• Synonyms: N-Hydroxy-5-methoxypicolinimidamide

Database IDs

• CAS Number: 327056-65-5
• PubChem SID: 180679861
• PubChem CID: 21058129

CALCULATED PROPERTIES

• Acid pKa: 14.763885
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.21434055
• LogD (pH = 7.4): -0.036935877
• Log P: -0.03412747
• Molar Refractivity: 63.9222 cm^3
• Polarizability: 16.311161 Å^3
• Polar Surface Area: 78.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%