[6-(oxan-4-yloxy)pyridin-3-yl]methanol

• ChemBase ID: 76052
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: n1c(ccc(c1)CO)OC1CCOCC1
• Canonical SMILES: OCc1ccc(nc1)OC1CCOCC1
• InChI: InChI=1S/C11H15NO3/c13-8-9-1-2-11(12-7-9)15-10-3-5-14-6-4-10/h1-2,7,10,13H,3-6,8H2
• InChIKey: UTEOAQJLPJOMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(oxan-4-yloxy)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(oxan-4-yloxy)pyridin-3-yl]methanol
• Synonyms: [6-(tetrahydropyran-4-yloxy)pyrid-3-yl]methanol; [6-(oxan-4-yloxy)pyridin-3-yl]methanol; [6-(Tetrahydro-2H-pyran-4-yloxy)pyridin-3-yl]methanol; 5-(Hydroxymethyl)-2-(tetrahydro-2H-pyran-4-yloxy)pyridine 97%

Database IDs

• CAS Number: 906352-79-2
• MDL Number: MFCD09817494
• PubChem SID: 162040970
• PubChem CID: 24229579

CALCULATED PROPERTIES

• Acid pKa: 14.708311
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.38582402
• LogD (pH = 7.4): 0.38619128
• Log P: 0.386196
• Molar Refractivity: 55.9692 cm^3
• Polarizability: 21.755297 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-101°C
• Hydrophobicity(logP): 0.509

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 95%; 97%