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

• ChemBase ID: 806233
• Molecular Formular: C12H18BNO3
• Molecular Mass: 235.08722
• Monoisotopic Mass: 235.13797384
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)OC
• Canonical SMILES: COc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)10-7-6-9(15-5)8-14-10/h6-8H,1-5H3
• InChIKey: QUCFIMUSDWSHMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5-METHOXYPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 126401-90-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.034363
• LogD (pH = 7.4): 3.0343995
• Log P: 3.0344
• Molar Refractivity: 60.3329 cm^3
• Polarizability: 25.625643 Å^3
• Polar Surface Area: 40.58 Å^2
• Lipinski's Rule of Five: true
• Rotatable Bonds: 2

PROPERTIES

Product Information

• Purity: 98%