[2-fluoro-6-(2-methoxyethoxy)pyridin-3-yl]boronic acid

• ChemBase ID: 290744
• Molecular Formular: C8H11BFNO4
• Molecular Mass: 214.9866432
• Monoisotopic Mass: 215.07651646
• SMILES: COCCOc1ccc(B(O)O)c(F)n1
• Canonical SMILES: COCCOc1ccc(c(n1)F)B(O)O
• InChI: InChI=1S/C8H11BFNO4/c1-14-4-5-15-7-3-2-6(9(12)13)8(10)11-7/h2-3,12-13H,4-5H2,1H3
• InChIKey: WDEHUASTXYZYKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-6-(2-methoxyethoxy)pyridin-3-yl]boronic acid
• IUPAC Traditional name: 2-fluoro-6-(2-methoxyethoxy)pyridin-3-ylboronic acid
• Synonyms: (2-Fluoro-6-(2-methoxyethoxy)pyridin-3-yl)boronic acid

Database IDs

• CAS Number: 1253575-61-9
• PubChem SID: 180676275
• PubChem CID: 53216460

CALCULATED PROPERTIES

• Acid pKa: 7.985753
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2042909
• LogD (pH = 7.4): 1.1059049
• Log P: 1.2057
• Molar Refractivity: 47.4979 cm^3
• Polarizability: 19.352985 Å^3
• Polar Surface Area: 71.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%