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

• ChemBase ID: 804811
• Molecular Formular: C11H17BN2O3
• Molecular Mass: 236.07528
• Monoisotopic Mass: 236.13322281
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)OC
• Canonical SMILES: COc1cnc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-14-9(15-5)7-13-8/h6-7H,1-5H3
• InChIKey: DKDDXYDZWFRPNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-METHOXYPYRAZINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1310404-63-7

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4211
• LogD (pH = 7.4): 2.4211
• Log P: 2.4211
• Molar Refractivity: 58.4895 cm^3
• Polarizability: 24.752888 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%