N-[(2-{imidazo[1,2-a]pyridin-2-ylmethoxy}phenyl)methylidene]hydroxylamine

• ChemBase ID: 267104
• Molecular Formular: C15H13N3O2
• Molecular Mass: 267.28262
• Monoisotopic Mass: 267.10077667
• SMILES: n1c2n(cc1COc1c(/C=N/O)cccc1)cccc2
• Canonical SMILES: O/N=C/c1ccccc1OCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H13N3O2/c19-16-9-12-5-1-2-6-14(12)20-11-13-10-18-8-4-3-7-15(18)17-13/h1-10,19H,11H2
• InChIKey: AOYSLDHTDNNBDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-{imidazo[1,2-a]pyridin-2-ylmethoxy}phenyl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[(2-{imidazo[1,2-a]pyridin-2-ylmethoxy}phenyl)methylidene]hydroxylamine
• Synonyms: N-[(2-{imidazo[1,2-a]pyridin-2-ylmethoxy}phenyl)methylidene]hydroxylamine

Database IDs

• MDL Number: MFCD16040136
• PubChem SID: 164323014
• PubChem CID: 47002936

CALCULATED PROPERTIES

• Acid pKa: 7.4220657
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7415161
• LogD (pH = 7.4): 1.8221549
• Log P: 1.9620388
• Molar Refractivity: 76.8957 cm^3
• Polarizability: 28.641432 Å^3
• Polar Surface Area: 59.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 2.495

Product Information

• Purity: 95%