(5-ethoxypyrazin-2-yl)boronic acid

• ChemBase ID: 804886
• Molecular Formular: C6H9BN2O3
• Molecular Mass: 167.95826
• Monoisotopic Mass: 168.07062256
• SMILES: B(O)(O)c1cnc(cn1)OCC
• Canonical SMILES: CCOc1ncc(nc1)B(O)O
• InChI: InChI=1S/C6H9BN2O3/c1-2-12-6-4-8-5(3-9-6)7(10)11/h3-4,10-11H,2H2,1H3
• InChIKey: FTOGEGNTEHHCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethoxypyrazin-2-yl)boronic acid
• IUPAC Traditional name: 5-ethoxypyrazin-2-ylboronic acid
• Synonyms: 5-ETHOXYPYRAZINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.8212953
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.50094366
• LogD (pH = 7.4): 0.36394224
• Log P: 0.503
• Molar Refractivity: 38.1285 cm^3
• Polarizability: 16.17078 Å^3
• Polar Surface Area: 75.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%