(2,7-naphthyridin-4-yl)boronic acid

• ChemBase ID: 800489
• Molecular Formular: C8H7BN2O2
• Molecular Mass: 173.96438
• Monoisotopic Mass: 174.06005787
• SMILES: B(O)(O)c1cncc2cnccc12
• Canonical SMILES: OB(c1cncc2c1ccnc2)O
• InChI: InChI=1S/C8H7BN2O2/c12-9(13)8-5-11-4-6-3-10-2-1-7(6)8/h1-5,12-13H
• InChIKey: IQOZLEVESGTVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,7-naphthyridin-4-yl)boronic acid
• IUPAC Traditional name: 2,7-naphthyridin-4-ylboronic acid
• Synonyms: 2,7-NAPHTHYRIDINE-4-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.208044
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.0155312475
• LogD (pH = 7.4): -0.044319157
• Log P: 0.0182
• Molar Refractivity: 42.7399 cm^3
• Polarizability: 19.25606 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%