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

• ChemBase ID: 806241
• Molecular Formular: C10H15BBrN3O2
• Molecular Mass: 299.96
• Monoisotopic Mass: 299.04406914
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(c(n1)Br)N
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnc(c(n1)Br)N
• InChI: InChI=1S/C10H15BBrN3O2/c1-9(2)10(3,4)17-11(16-9)6-5-14-8(13)7(12)15-6/h5H,1-4H3,(H2,13,14)
• InChIKey: YHBZJCVZWSQGLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• IUPAC Traditional name: 3-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• Synonyms: 5-AMINO-6-BROMOPYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 16.71964
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.079897
• LogD (pH = 7.4): 3.0799
• Log P: 3.0799
• Molar Refractivity: 65.1917 cm^3
• Polarizability: 26.29563 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%