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

• ChemBase ID: 23725
• Molecular Formular: C13H20BNO3
• Molecular Mass: 249.1138
• Monoisotopic Mass: 249.15362391
• SMILES: c1ccnc(c1B1OC(C(O1)(C)C)(C)C)OCC
• Canonical SMILES: CCOc1ncccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO3/c1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
• InChIKey: GRXNEZGBXVIORK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 848243-23-2
• MDL Number: MFCD07366721
• PubChem SID: 160987032
• PubChem CID: 17750191

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3768013
• LogD (pH = 7.4): 3.3768988
• Log P: 3.3769
• Molar Refractivity: 65.0815 cm^3
• Polarizability: 27.466398 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C13H20BNO3

DETAILS

Sigma Aldrich - ADE000308

Other Notes
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