(Z)-N'-hydroxy-2-oxo-1,2-dihydropyridine-3-carboximidamide

• ChemBase ID: 265814
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: c1(c(=O)[nH]ccc1)/C(=N/O)/N
• Canonical SMILES: N/C(=N\O)/c1ccc[nH]c1=O
• InChI: InChI=1S/C6H7N3O2/c7-5(9-11)4-2-1-3-8-6(4)10/h1-3,11H,(H2,7,9)(H,8,10)
• InChIKey: MMDQJJBEZBXWHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-oxo-1,2-dihydropyridine-3-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide
• Synonyms: N'-hydroxy-2-oxo-1,2-dihydropyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD11213717
• PubChem SID: 164321724
• PubChem CID: 13350216

CALCULATED PROPERTIES

• Acid pKa: 10.236546
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.137031
• LogD (pH = 7.4): -1.136824
• Log P: -1.1361911
• Molar Refractivity: 39.8856 cm^3
• Polarizability: 14.405834 Å^3
• Polar Surface Area: 87.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): -1.676

Product Information

• Purity: 95%