2-fluoro-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

• ChemBase ID: 800713
• Molecular Formular: C12H17BFNO2
• Molecular Mass: 237.0782832
• Monoisotopic Mass: 237.13363741
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(cc1)F
• Canonical SMILES: Fc1ccc(cn1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)7-9-5-6-10(14)15-8-9/h5-6,8H,7H2,1-4H3
• InChIKey: IIEYQXRBGFZKDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• IUPAC Traditional name: 2-fluoro-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• Synonyms: 2-(6-FLUOROPYRIDIN-3-YLMETHYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1409
• LogD (pH = 7.4): 3.1409
• Log P: 3.1409
• Molar Refractivity: 59.7883 cm^3
• Polarizability: 24.626799 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%