{imidazo[1,2-a]pyridin-6-yl}boronic acid

• ChemBase ID: 87650
• Molecular Formular: C7H7BN2O2
• Molecular Mass: 161.95368
• Monoisotopic Mass: 162.06005787
• SMILES: n1c2n(cc1)cc(cc2)B(O)O
• Canonical SMILES: OB(c1ccc2n(c1)ccn2)O
• InChI: InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5,11-12H
• InChIKey: IPJIKGJKMCILGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-6-yl}boronic acid
• IUPAC Traditional name: imidazo[1,2-a]pyridin-6-ylboronic acid
• Synonyms: Imidazo[1,2-a]pyridine-6-boronic acid; 1-Azaindolizine-6-boronic acid; Imidazo[1,2-a]pyridine-6-boronic acid; Imidazo[1,2-a]pyridine-6-boronic acid 98%; 咪唑并[1,2-a]吡啶-6-硼酸

Database IDs

• CAS Number: 913835-63-9
• MDL Number: MFCD06739225
• PubChem SID: 162074690
• PubChem CID: 44119340

CALCULATED PROPERTIES

• Acid pKa: 8.576814
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.064790264
• LogD (pH = 7.4): 0.5869542
• Log P: 0.6335
• Molar Refractivity: 40.4819 cm^3
• Polarizability: 16.503422 Å^3
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-117°C; 115-117°C

Safety Information

• Storage Warning: Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%