(Z)-N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide

• ChemBase ID: 309066
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c1(nc2n(c1)cccc2)/C(=N/O)/N
• Canonical SMILES: O/N=C(/c1nc2n(c1)cccc2)\N
• InChI: InChI=1S/C8H8N4O/c9-8(11-13)6-5-12-4-2-1-3-7(12)10-6/h1-5,13H,(H2,9,11)
• InChIKey: WQOPFFRPTUGOIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide
• Synonyms: N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide

Database IDs

• CAS Number: 939999-93-6
• MDL Number: MFCD14702873

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.03530499
• LogD (pH = 7.4): 0.043283734
• Log P: 0.062686495
• Molar Refractivity: 48.5866 cm^3
• Polarizability: 17.69519 Å^3
• Polar Surface Area: 75.91 Å^2