2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 294834
• Molecular Formular: C12H18BNO3
• Molecular Mass: 235.08722
• Monoisotopic Mass: 235.13797384
• SMILES: COc1nccc(B2OC(C)(C)C(O2)(C)C)c1
• Canonical SMILES: COc1nccc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14-10(8-9)15-5/h6-8H,1-5H3
• InChIKey: RLHAGSICYJAHMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Methoxypyridine-4-boronic acid pinacol ester

Database IDs

• CAS Number: 408502-23-8
• MDL Number: MFCDN/A7368867
• PubChem SID: 180680365
• PubChem CID: 44754862

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0343964
• LogD (pH = 7.4): 3.0344
• Log P: 3.0344
• Molar Refractivity: 60.3329 cm^3
• Polarizability: 25.624954 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%