N-hydroxy-2-methoxypyridine-3-carboximidamide

• ChemBase ID: 60799
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(C(=N)NO)c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(=N)NO
• InChI: InChI=1S/C7H9N3O2/c1-12-7-5(6(8)10-11)3-2-4-9-7/h2-4,11H,1H3,(H2,8,10)
• InChIKey: RAYUQMMNNYGOOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-methoxypyridine-3-carboximidamide
• IUPAC Traditional name: N-hydroxy-2-methoxypyridine-3-carboximidamide
• Synonyms: N-Hydroxy-2-methoxypyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD19103530
• PubChem SID: 162026540
• PubChem CID: 24696895

CALCULATED PROPERTIES

• Acid pKa: 14.744047
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.071571454
• LogD (pH = 7.4): 0.17301878
• Log P: 0.17447974
• Molar Refractivity: 64.6077 cm^3
• Polarizability: 16.312525 Å^3
• Polar Surface Area: 78.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false