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

• ChemBase ID: 180342
• Molecular Formular: C10H15BN2O2
• Molecular Mass: 206.0493
• Monoisotopic Mass: 206.12265813
• SMILES: c1(cnccn1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1nccnc1
• InChI: InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h5-7H,1-4H3
• InChIKey: OERCBFJFHINDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: Pyrazine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; PYRAZINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1083179-99-0
• PubChem SID: 164236252
• PubChem CID: 17750477

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9751996
• LogD (pH = 7.4): 1.9751999
• Log P: 1.9752
• Molar Refractivity: 51.7128 cm^3
• Polarizability: 22.215673 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%