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

• ChemBase ID: 810504
• Molecular Formular: C12H17BFNO2
• Molecular Mass: 237.0782832
• Monoisotopic Mass: 237.13363741
• SMILES: CC1(C)OB(OC1(C)C)c1nc(c(cc1)F)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(c(n1)C)F
• InChI: InChI=1S/C12H17BFNO2/c1-8-9(14)6-7-10(15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
• InChIKey: FNDRGRATGIZKSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 3-fluoro-2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5-FLUORO-6-METHYLPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 952403-32-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5971973
• LogD (pH = 7.4): 3.5972
• Log P: 3.5972
• Molar Refractivity: 58.6776 cm^3
• Polarizability: 24.54368 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%