(5-hydroxypyrazin-2-yl)boronic acid

• ChemBase ID: 804136
• Molecular Formular: C4H5BN2O3
• Molecular Mass: 139.9051
• Monoisotopic Mass: 140.03932243
• SMILES: B(O)(O)c1cnc(cn1)O
• Canonical SMILES: Oc1cnc(cn1)B(O)O
• InChI: InChI=1S/C4H5BN2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2,9-10H,(H,7,8)
• InChIKey: NFRFFFUUFFTMHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1262116-48-2

CALCULATED PROPERTIES

• Acid pKa: 7.827775
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.12677476
• LogD (pH = 7.4): -0.008468401
• Log P: 0.1288
• Molar Refractivity: 28.8976 cm^3
• Polarizability: 12.463147 Å^3
• Polar Surface Area: 86.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%