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

• ChemBase ID: 43827
• Molecular Formular: C6H4N2O2
• Molecular Mass: 136.10816
• Monoisotopic Mass: 136.02727738
• SMILES: n1c(c2c(o1)cncc2)O
• Canonical SMILES: Oc1noc2c1ccnc2
• InChI: InChI=1S/C6H4N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h1-3H,(H,8,9)
• InChIKey: CRAFYPVJLKTWET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12827779
• PubChem SID: 162048590
• PubChem CID: 11286490

CALCULATED PROPERTIES

• Acid pKa: 5.8809776
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28411436
• LogD (pH = 7.4): -0.7701662
• Log P: 0.42988887
• Molar Refractivity: 33.9652 cm^3
• Polarizability: 13.558775 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: < 270 °C; <270°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%