(5-methoxypyrazin-2-yl)boronic acid

• ChemBase ID: 804887
• Molecular Formular: C5H7BN2O3
• Molecular Mass: 153.93168
• Monoisotopic Mass: 154.05497249
• SMILES: B(O)(O)c1cnc(cn1)OC
• Canonical SMILES: COc1ncc(nc1)B(O)O
• InChI: InChI=1S/C5H7BN2O3/c1-11-5-3-7-4(2-8-5)6(9)10/h2-3,9-10H,1H3
• InChIKey: AYDIUTZNBWTZKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1207738-71-3

CALCULATED PROPERTIES

• Acid pKa: 7.8233814
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.1584535
• LogD (pH = 7.4): 0.022013785
• Log P: 0.1605
• Molar Refractivity: 33.3799 cm^3
• Polarizability: 14.347471 Å^3
• Polar Surface Area: 75.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%