2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine

• ChemBase ID: 800742
• Molecular Formular: C12H19BN2O3
• Molecular Mass: 250.10186
• Monoisotopic Mass: 250.14887288
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(cn1)OC
• Canonical SMILES: COc1cnc(cn1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)6-9-7-15-10(16-5)8-14-9/h7-8H,6H2,1-5H3
• InChIKey: WNAXLKJEBSSPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• IUPAC Traditional name: 2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• Synonyms: 2-[(5-METHOXYPYRAZIN-2-YL)METHYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9576991
• LogD (pH = 7.4): 1.9577
• Log P: 1.9577
• Molar Refractivity: 62.4888 cm^3
• Polarizability: 26.597998 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%