N-hydroxypyridine-3-carboximidamide

• ChemBase ID: 293556
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: ONC(=N)c1cccnc1
• Canonical SMILES: ONC(=N)c1cccnc1
• InChI: InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
• InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxypyridine-3-carboximidamide
• IUPAC Traditional name: N-hydroxypyridine-3-carboximidamide
• Synonyms: N-Hydroxynicotinimidamide

Database IDs

• CAS Number: 1594-58-7
• MDL Number: MFCD00125875
• PubChem SID: 180679087
• PubChem CID: 5372334

CALCULATED PROPERTIES

• Acid pKa: 14.803555
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.95111585
• LogD (pH = 7.4): -0.28334588
• Log P: -0.26230654
• Molar Refractivity: 57.831 cm^3
• Polarizability: 13.759493 Å^3
• Polar Surface Area: 69.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%