[1,3]oxazolo[4,5-b]pyridin-2-ol

• ChemBase ID: 101989
• Molecular Formular: C6H4N2O2
• Molecular Mass: 136.10816
• Monoisotopic Mass: 136.02727738
• SMILES: n1c(oc2c1nccc2)O
• Canonical SMILES: Oc1nc2c(o1)cccn2
• InChI: InChI=1S/C6H4N2O2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)
• InChIKey: OVLXOTUWFLHWQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]oxazolo[4,5-b]pyridin-2-ol
• IUPAC Traditional name: [1,3]oxazolo[4,5-b]pyridin-2-ol
• Synonyms: [1,3]oxazolo[4,5-b]pyridin-2-ol

Database IDs

• CAS Number: 60832-72-6
• MDL Number: MFCD09065038
• PubChem SID: 162089206
• PubChem CID: 2799900

CALCULATED PROPERTIES

• Acid pKa: 6.6717734
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7807899
• LogD (pH = 7.4): 0.09372493
• Log P: 0.8078822
• Molar Refractivity: 33.5932 cm^3
• Polarizability: 12.921046 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%