(Z)-5-amino-N'-hydroxypyridine-2-carboximidamide

• ChemBase ID: 298829
• Molecular Formular: C6H8N4O
• Molecular Mass: 152.15392
• Monoisotopic Mass: 152.0698109
• SMILES: c1cc(ncc1N)/C(=N/O)/N
• Canonical SMILES: O/N=C(/c1ccc(cn1)N)\N
• InChI: InChI=1S/C6H8N4O/c7-4-1-2-5(9-3-4)6(8)10-11/h1-3,11H,7H2,(H2,8,10)
• InChIKey: KCQSBYIYZPJKOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-5-amino-N'-hydroxypyridine-2-carboximidamide
• IUPAC Traditional name: (Z)-5-amino-N'-hydroxypyridine-2-carboximidamide
• Synonyms: 5-Aminopyridine-2-carboxamidoxime; 5-氨基吡啶-2-甲胺肟

Database IDs

• MDL Number: MFCD20265317
• PubChem SID: 180684360
• PubChem CID: 73995917

CALCULATED PROPERTIES

• Acid pKa: 11.236467
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.7756885
• LogD (pH = 7.4): -0.7703666
• Log P: -0.7702155
• Molar Refractivity: 41.2517 cm^3
• Polarizability: 14.991449 Å^3
• Polar Surface Area: 97.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%