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

• ChemBase ID: 810505
• Molecular Formular: C12H18BNO2
• Molecular Mass: 219.08782
• Monoisotopic Mass: 219.14305922
• SMILES: CC1(C)OB(OC1(C)C)c1nccc(c1)C
• Canonical SMILES: Cc1ccnc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H18BNO2/c1-9-6-7-14-10(8-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
• InChIKey: LXOMIGCZWSWSQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 4-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 4-METHYLPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1236119-88-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.753583
• LogD (pH = 7.4): 3.754291
• Log P: 3.7543
• Molar Refractivity: 58.9109 cm^3
• Polarizability: 24.870539 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%