N-{imidazo[1,2-a]pyridin-3-ylmethylidene}hydroxylamine

• ChemBase ID: 237705
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: n12c(ncc1/C=N/O)cccc2
• Canonical SMILES: O/N=C/c1cnc2n1cccc2
• InChI: InChI=1S/C8H7N3O/c12-10-6-7-5-9-8-3-1-2-4-11(7)8/h1-6,12H
• InChIKey: DCWZJRTZWBDVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethylidene}hydroxylamine
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethylidene}hydroxylamine
• Synonyms: N-{imidazo[1,2-a]pyridin-3-ylmethylidene}hydroxylamine

Database IDs

• MDL Number: MFCD11111475
• PubChem SID: 164293615
• PubChem CID: 15144313

CALCULATED PROPERTIES

• Acid pKa: 11.163119
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11725126
• LogD (pH = 7.4): 0.39574236
• Log P: 0.40153268
• Molar Refractivity: 46.2196 cm^3
• Polarizability: 16.545021 Å^3
• Polar Surface Area: 49.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.65

Product Information

• Purity: 95%