2,6-dimethoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 296432
• Molecular Formular: C13H20BNO4
• Molecular Mass: 265.1132
• Monoisotopic Mass: 265.14853853
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(nc1OC)OC
• Canonical SMILES: COc1nc(OC)ccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-8-10(16-5)15-11(9)17-6/h7-8H,1-6H3
• InChIKey: VZGDCNFVMWRPOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2,6-dimethoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2,6-Dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,6-Dimethoxypyridine-3-boronic acid pinacol ester; 2,6-DIMETHOXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE; 2,6-二甲氧基吡啶-3-硼酸频哪酯

Database IDs

• CAS Number: 214360-59-5
• MDL Number: MFCD03788240
• PubChem SID: 180681963
• PubChem CID: 2758487

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.480293
• LogD (pH = 7.4): 3.4803
• Log P: 3.4803
• Molar Refractivity: 67.1096 cm^3
• Polarizability: 28.158627 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-42°C

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: 95%; 98%