imidazo[1,2-a]pyridin-7-ol

• ChemBase ID: 171555
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1(ccn2c(c1)ncc2)O
• Canonical SMILES: Oc1ccn2c(c1)ncc2
• InChI: InChI=1S/C7H6N2O/c10-6-1-3-9-4-2-8-7(9)5-6/h1-5,10H
• InChIKey: VIDSNQQGYGJWOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-7-ol
• IUPAC Traditional name: imidazo[1,2-a]pyridin-7-ol
• Synonyms: 7-Hydroxyimidazo[1,2-a]pyridine; Imidazo[1,2-a]pyridin-7-ol

Database IDs

• CAS Number: 896139-85-8
• MDL Number: MFCD13176749
• PubChem SID: 164227465
• PubChem CID: 27973887

CALCULATED PROPERTIES

• Acid pKa: 8.068879
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22066401
• LogD (pH = 7.4): 0.32856637
• Log P: 0.3375803
• Molar Refractivity: 37.9173 cm^3
• Polarizability: 13.893076 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 124-127°C

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - I387500

Intermediate for heterocyclic compounds as tyrosine kinase inhibitors and anticancer agents.

REFERENCES

• McLean, A., et al.: J. Chem. Phys., 72, 5639 (1980)
• Watts, J., et al.: J. Biol. Chem., 276, 43197 (1980)