3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol

• ChemBase ID: 796307
• Molecular Formular: C11H15BFNO3
• Molecular Mass: 239.0511032
• Monoisotopic Mass: 239.11290197
• SMILES: n1c(c(cc(c1)B1OC(C(O1)(C)C)(C)C)F)O
• Canonical SMILES: Oc1ncc(cc1F)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H15BFNO3/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(15)14-6-7/h5-6H,1-4H3,(H,14,15)
• InChIKey: PYHFMUZWRDHWKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol
• IUPAC Traditional name: 3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol
• Synonyms: 3-Fluoro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol

Database IDs

• CAS Number: 1333319-76-8

CALCULATED PROPERTIES

• Acid pKa: 9.607555
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1421676
• LogD (pH = 7.4): 3.1396403
• Log P: 3.1422
• Molar Refractivity: 56.067 cm^3
• Polarizability: 23.428288 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%