2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 804213
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: CC1(C)OB(OC1(C)C)c1cncc(n1)C
• Canonical SMILES: Cc1cncc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-8-6-13-7-9(14-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
• InChIKey: UFWJNSLLPXAKIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 6-METHYLPYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1457994
• LogD (pH = 7.4): 2.1457999
• Log P: 2.1458
• Molar Refractivity: 56.3043 cm^3
• Polarizability: 23.979923 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%