(Z)-N'-hydroxy-2-methoxypyridine-4-carboximidamide

• ChemBase ID: 273936
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: C(=N\O)(/c1cc(ncc1)OC)\N
• Canonical SMILES: O/N=C(/c1ccnc(c1)OC)\N
• InChI: InChI=1S/C7H9N3O2/c1-12-6-4-5(2-3-9-6)7(8)10-11/h2-4,11H,1H3,(H2,8,10)
• InChIKey: MODXCOGORIZFEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-methoxypyridine-4-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-methoxypyridine-4-carboximidamide
• Synonyms: N'-hydroxy-2-methoxypyridine-4-carboximidamide

Database IDs

• MDL Number: MFCD09928919
• PubChem SID: 164329846
• PubChem CID: 54592979

CALCULATED PROPERTIES

• Acid pKa: 11.029825
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.09805525
• LogD (pH = 7.4): 0.1093956
• Log P: 0.1096464
• Molar Refractivity: 43.7 cm^3
• Polarizability: 16.378168 Å^3
• Polar Surface Area: 80.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): -1.201

Product Information

• Purity: 95%