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

• ChemBase ID: 88150
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: B1(c2cnc(cn2)C)OC(C)(C)C(O1)(C)C
• Canonical SMILES: Cc1cnc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-8-6-14-9(7-13-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
• InChIKey: OCSJKXYKWMVZNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine; 5-Methylpyrazine-2-boronic acid, pinacol ester; 5-METHYLPYRAZINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1101205-24-6
• PubChem SID: 162104543
• PubChem CID: 45785915

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1457968
• LogD (pH = 7.4): 2.1457999
• Log P: 2.1458
• Molar Refractivity: 56.3043 cm^3
• Polarizability: 23.97982 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 98%