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

• ChemBase ID: 55884
• Molecular Formular: C11H16BNO2
• Molecular Mass: 205.06124
• Monoisotopic Mass: 205.12740916
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ncccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccccn1
• InChI: InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h5-8H,1-4H3
• InChIKey: SOQIDYYUSMPIDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; Pyridine-2-boronic acid, pinacol ester; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; PYRIDINE-2-BORONIC ACID PINACOL ESTER; Pyridine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Database IDs

• CAS Number: 874186-98-8; 317810-27-8
• MDL Number: MFCD04039342
• PubChem SID: 162060647
• PubChem CID: 11241171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2869687
• LogD (pH = 7.4): 3.2870984
• Log P: 3.2871
• Molar Refractivity: 53.8697 cm^3
• Polarizability: 23.106274 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Harmful/Store at -20°C
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%