2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

• ChemBase ID: 800760
• Molecular Formular: C12H18BNO2
• Molecular Mass: 219.08782
• Monoisotopic Mass: 219.14305922
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1ncccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1ccccn1
• InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-10-7-5-6-8-14-10/h5-8H,9H2,1-4H3
• InChIKey: BVLAVOAREHTTQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• IUPAC Traditional name: 2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• Synonyms: 2-(PYRIDIN-2-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7659237
• LogD (pH = 7.4): 2.8229206
• Log P: 2.8237
• Molar Refractivity: 57.869 cm^3
• Polarizability: 24.960873 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%