2-bromo-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine

• ChemBase ID: 800720
• Molecular Formular: C11H16BBrN2O2
• Molecular Mass: 298.97194
• Monoisotopic Mass: 298.04882016
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(cn1)Br
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1ncc(nc1)Br
• InChI: InChI=1S/C11H16BBrN2O2/c1-10(2)11(3,4)17-12(16-10)5-8-6-15-9(13)7-14-8/h6-7H,5H2,1-4H3
• InChIKey: JRCZDAQSSMHFHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7010999
• LogD (pH = 7.4): 2.7011
• Log P: 2.7011
• Molar Refractivity: 64.1771 cm^3
• Polarizability: 26.944124 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%