2-hydroxypyridine-3-carboximidamide

• ChemBase ID: 308665
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1(C(=N)N)c(nccc1)O
• Canonical SMILES: NC(=N)c1cccnc1O
• InChI: InChI=1S/C6H7N3O/c7-5(8)4-2-1-3-9-6(4)10/h1-3H,(H3,7,8)(H,9,10)
• InChIKey: QZTKIXAQVKCAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypyridine-3-carboximidamide
• IUPAC Traditional name: 2-hydroxypyridine-3-carboximidamide
• Synonyms: 2-hydroxy-3-pyridinecarboximidamide

Database IDs

• CAS Number: 885953-80-0
• MDL Number: MFCD11106310

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.413364
• LogD (pH = 7.4): -1.5716411
• Log P: -0.25092173
• Molar Refractivity: 47.868 cm^3
• Polarizability: 13.752296 Å^3
• Polar Surface Area: 82.99 Å^2