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

• ChemBase ID: 800723
• Molecular Formular: C12H19BN2O2
• Molecular Mass: 234.10246
• Monoisotopic Mass: 234.15395826
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cncc(n1)C
• Canonical SMILES: Cc1cncc(n1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O2/c1-9-7-14-8-10(15-9)6-13-16-11(2,3)12(4,5)17-13/h7-8H,6H2,1-5H3
• InChIKey: DMXMHGYZDPTBIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• IUPAC Traditional name: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• Synonyms: 2-(6-METHYLPYRAZIN-2-YLMETHYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6823856
• LogD (pH = 7.4): 1.6823999
• Log P: 1.6824
• Molar Refractivity: 60.3036 cm^3
• Polarizability: 25.828943 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%