2-[(4-aminopyridin-2-yl)oxy]ethan-1-ol

• ChemBase ID: 245040
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1c(nccc1N)OCCO
• Canonical SMILES: Nc1cc(OCCO)ncc1
• InChI: InChI=1S/C7H10N2O2/c8-6-1-2-9-7(5-6)11-4-3-10/h1-2,5,10H,3-4H2,(H2,8,9)
• InChIKey: BWLYYKNMDFEUEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-aminopyridin-2-yl)oxy]ethan-1-ol
• IUPAC Traditional name: 2-[(4-aminopyridin-2-yl)oxy]ethanol
• Synonyms: 2-[(4-aminopyridin-2-yl)oxy]ethan-1-ol

Database IDs

• MDL Number: MFCD16084438
• PubChem SID: 164300950
• PubChem CID: 61709250

CALCULATED PROPERTIES

• Acid pKa: 15.098972
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4069383
• LogD (pH = 7.4): -0.41241205
• Log P: -0.32666832
• Molar Refractivity: 41.6705 cm^3
• Polarizability: 15.574897 Å^3
• Polar Surface Area: 68.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.289

Product Information

• Purity: 95%