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

• ChemBase ID: 804204
• Molecular Formular: C10H15BN2O3
• Molecular Mass: 222.0487
• Monoisotopic Mass: 222.11757275
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)O
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncc(nc1)O
• InChI: InChI=1S/C10H15BN2O3/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(14)6-12-7/h5-6H,1-4H3,(H,13,14)
• InChIKey: JNDHUVFYMHBTNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-ol
• IUPAC Traditional name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-ol
• Synonyms: 5-HYDROXYPYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 9.854129
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3893816
• LogD (pH = 7.4): 2.3879473
• Log P: 2.3894
• Molar Refractivity: 54.0072 cm^3
• Polarizability: 22.847767 Å^3
• Polar Surface Area: 64.47 Å^2

PROPERTIES

Product Information

• Purity: 98%