4-(benzyloxy)pyridin-2-ol

• ChemBase ID: 77569
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: n1c(cc(cc1)OCc1ccccc1)O
• Canonical SMILES: Oc1nccc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
• InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)pyridin-2-ol
• IUPAC Traditional name: 4-(benzyloxy)pyridin-2-ol
• Synonyms: 4-(Benzyloxy)pyridin-2-ol; Benzyl 2-hydroxypyridin-4-yl ether; 4-Benzyloxy-2-hydroxypyridine 97%; 4-Benzyloxy-2-pyridone; 4-Benzyloxy-2-hydroxypyridine; 4-苯甲氧基-2-羟基吡啶

Database IDs

• CAS Number: 53937-02-3
• MDL Number: MFCD04039771
• PubChem SID: 162042441
• PubChem CID: 3607724

CALCULATED PROPERTIES

• Acid pKa: 11.1497965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6132464
• LogD (pH = 7.4): 2.613191
• Log P: 2.6132674
• Molar Refractivity: 57.2713 cm^3
• Polarizability: 22.141598 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194-198°C; 194-198°C

Safety Information

• Storage Warning: Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%