2-[(3-aminopyridin-2-yl)oxy]ethan-1-ol

• ChemBase ID: 44919
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1cnc(c(c1)N)OCCO
• Canonical SMILES: OCCOc1ncccc1N
• InChI: InChI=1S/C7H10N2O2/c8-6-2-1-3-9-7(6)11-5-4-10/h1-3,10H,4-5,8H2
• InChIKey: TWSIYWGFCIUFEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-aminopyridin-2-yl)oxy]ethan-1-ol
• IUPAC Traditional name: 2-[(3-aminopyridin-2-yl)oxy]ethanol
• Synonyms: 2-(3-Aminopyridin-2-yloxy)ethanol; 2-(3-Aminopyridin-2-yloxy)ethanol

Database IDs

• MDL Number: MFCD11136598
• PubChem SID: 162049682
• PubChem CID: 28413661

CALCULATED PROPERTIES

• Acid pKa: 15.098894
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3293984
• LogD (pH = 7.4): -0.3267028
• Log P: -0.32666832
• Molar Refractivity: 41.6705 cm^3
• Polarizability: 15.580181 Å^3
• Polar Surface Area: 68.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H10N2O2

DETAILS

Sigma Aldrich - ADE000693

Other Notes
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