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

• ChemBase ID: 99414
• Molecular Formular: C12H17BFNO2
• Molecular Mass: 237.0782832
• Monoisotopic Mass: 237.13363741
• SMILES: B1(c2cc(cnc2F)C)OC(C)(C)C(O1)(C)C
• Canonical SMILES: Cc1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)F
• InChI: InChI=1S/C12H17BFNO2/c1-8-6-9(10(14)15-7-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
• InChIKey: VQBAQPBHXGGKBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-fluoro-5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Fluoro-5-methylpyridine-3-boronic acid, pinacol ester; 2-FLUORO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1073371-96-6
• MDL Number: MFCD08063092
• PubChem SID: 162085682
• PubChem CID: 44717654

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6524
• LogD (pH = 7.4): 3.6524
• Log P: 3.6524
• Molar Refractivity: 59.8285 cm^3
• Polarizability: 24.539602 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%