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

• ChemBase ID: 807237
• Molecular Formular: C12H17BFNO3
• Molecular Mass: 253.0776832
• Monoisotopic Mass: 253.12855203
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(c(c1)F)OC
• Canonical SMILES: COc1ncc(cc1F)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8/h6-7H,1-5H3
• InChIKey: HLIWIOCMLKVEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1310384-35-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1738997
• LogD (pH = 7.4): 3.1739
• Log P: 3.1739
• Molar Refractivity: 60.5493 cm^3
• Polarizability: 25.325977 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%