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

• ChemBase ID: 298853
• Molecular Formular: C13H20BNO3
• Molecular Mass: 249.1138
• Monoisotopic Mass: 249.15362391
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(nc1C)OC
• Canonical SMILES: COc1ccc(c(n1)C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO3/c1-9-10(7-8-11(15-9)16-6)14-17-12(2,3)13(4,5)18-14/h7-8H,1-6H3
• InChIKey: CWJKZNNXSPVPAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 6-methoxy-2-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-Methoxy-2-methylpyridine-3-boronic acid pinacol ester; 6-甲氧基-2-甲基吡啶-3-硼酸频哪酯

Database IDs

• CAS Number: 1080028-73-4
• MDL Number: MFCD12923398
• PubChem SID: 180684384
• PubChem CID: 67487482

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2043107
• LogD (pH = 7.4): 3.2049913
• Log P: 3.205
• Molar Refractivity: 64.9244 cm^3
• Polarizability: 27.388641 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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: 96%