6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

• ChemBase ID: 810511
• Molecular Formular: C12H16BNO3
• Molecular Mass: 233.07134
• Monoisotopic Mass: 233.12232378
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)C=O
• Canonical SMILES: O=Cc1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)10-7-5-6-9(8-15)14-10/h5-8H,1-4H3
• InChIKey: PTOCHGAHIUKMEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde
• Synonyms: 6-FORMYLPYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.720396
• LogD (pH = 7.4): 3.7203999
• Log P: 3.7204
• Molar Refractivity: 60.0685 cm^3
• Polarizability: 25.00922 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%