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

• ChemBase ID: 800761
• Molecular Formular: C13H20BNO2
• Molecular Mass: 233.1144
• Monoisotopic Mass: 233.15870929
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-10-7-6-8-11(15-10)9-14-16-12(2,3)13(4,5)17-14/h6-8H,9H2,1-5H3
• InChIKey: UMUSZFQVARLYMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• IUPAC Traditional name: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• Synonyms: 2-(6-METHYLPYRIDIN-2-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7587826
• LogD (pH = 7.4): 2.9903684
• Log P: 2.9943
• Molar Refractivity: 62.4605 cm^3
• Polarizability: 26.727148 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%