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

• ChemBase ID: 806235
• Molecular Formular: C10H14BBrN2O2
• Molecular Mass: 284.94536
• Monoisotopic Mass: 284.0331701
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)Br
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncc(nc1)Br
• InChI: InChI=1S/C10H14BBrN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3
• InChIKey: KKXOTPRDMLYWLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-BROMOPYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1645
• LogD (pH = 7.4): 3.1645
• Log P: 3.1645
• Molar Refractivity: 60.1778 cm^3
• Polarizability: 25.11912 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%