2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 297440
• Molecular Formular: C13H20BNO3
• Molecular Mass: 249.1138
• Monoisotopic Mass: 249.15362391
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(nc1)OCC
• Canonical SMILES: CCOc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO3/c1-6-16-11-8-7-10(9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
• InChIKey: GXUHWEZZHFBDFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Ethoxypyridine-5-boronic acid pinacol ester; 2-乙氧基吡啶-5-硼酸频哪酯

Database IDs

• CAS Number: 1072945-01-7
• MDL Number: MFCD07781182
• PubChem SID: 180682971
• PubChem CID: 24208796

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.376836
• LogD (pH = 7.4): 3.3768992
• Log P: 3.3769
• Molar Refractivity: 65.0815 cm^3
• Polarizability: 27.464207 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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: 99%