2-(propan-2-yloxy)pyridin-3-ol

• ChemBase ID: 248830
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(ncccc1O)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1O)C
• InChI: InChI=1S/C8H11NO2/c1-6(2)11-8-7(10)4-3-5-9-8/h3-6,10H,1-2H3
• InChIKey: AEKPFESCTCGDEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)pyridin-3-ol
• IUPAC Traditional name: 2-isopropoxypyridin-3-ol
• Synonyms: 2-(propan-2-yloxy)pyridin-3-ol

Database IDs

• MDL Number: MFCD16997444
• PubChem SID: 164304740
• PubChem CID: 21388659

CALCULATED PROPERTIES

• Acid pKa: 9.191455
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6600789
• LogD (pH = 7.4): 1.6553166
• Log P: 1.6621773
• Molar Refractivity: 41.8261 cm^3
• Polarizability: 16.24588 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%