[5-(morpholin-4-yl)pyridin-3-yl]methanol

• ChemBase ID: 797453
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(O)c1cncc(c1)N1CCOCC1
• Canonical SMILES: OCc1cncc(c1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O2/c13-8-9-5-10(7-11-6-9)12-1-3-14-4-2-12/h5-7,13H,1-4,8H2
• InChIKey: WUXCKFYQSICLCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(morpholin-4-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(morpholin-4-yl)pyridin-3-yl]methanol
• Synonyms: (5-Morpholinopyridin-3-yl)Methanol

Database IDs

• CAS Number: 888070-06-2

CALCULATED PROPERTIES

• Acid pKa: 14.783228
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26827908
• LogD (pH = 7.4): -0.124516785
• Log P: -0.12223297
• Molar Refractivity: 54.2201 cm^3
• Polarizability: 20.366291 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%