2-[(5-aminopyridin-2-yl)oxy]ethan-1-ol

• ChemBase ID: 265352
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: n1c(ccc(c1)N)OCCO
• Canonical SMILES: OCCOc1ccc(cn1)N
• InChI: InChI=1S/C7H10N2O2/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4,8H2
• InChIKey: UIBDRXZQWRSOKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-aminopyridin-2-yl)oxy]ethan-1-ol
• IUPAC Traditional name: 2-[(5-aminopyridin-2-yl)oxy]ethanol
• Synonyms: 2-[(5-aminopyridin-2-yl)oxy]ethan-1-ol

Database IDs

• MDL Number: MFCD11136597
• PubChem SID: 164321262
• PubChem CID: 22061157

CALCULATED PROPERTIES

• Acid pKa: 15.098974
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.32950553
• LogD (pH = 7.4): -0.32670417
• Log P: -0.32666832
• Molar Refractivity: 41.6705 cm^3
• Polarizability: 15.578371 Å^3
• Polar Surface Area: 68.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 0.289

Product Information

• Purity: 95%