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

• ChemBase ID: 291259
• Molecular Formular: C12H17BFNO3
• Molecular Mass: 253.0776832
• Monoisotopic Mass: 253.12855203
• SMILES: CC1(C)C(C)(C)OB(c2cc(F)cnc2OC)O1
• Canonical SMILES: COc1ncc(cc1B1OC(C(O1)(C)C)(C)C)F
• InChI: InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)9-6-8(14)7-15-10(9)16-5/h6-7H,1-5H3
• InChIKey: ZMOAKVBHCHKUIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 5-fluoro-2-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5-Fluoro-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1083168-95-9
• MDL Number: MFCD08063053
• PubChem SID: 180676790
• PubChem CID: 46739721

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1739
• LogD (pH = 7.4): 3.1739
• Log P: 3.1739
• Molar Refractivity: 60.5493 cm^3
• Polarizability: 25.328196 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%