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

• ChemBase ID: 804807
• Molecular Formular: C14H22BN3O2
• Molecular Mass: 275.15438
• Monoisotopic Mass: 275.18050736
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncc(nc1)N1CCCC1
• InChI: InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-9-17-12(10-16-11)18-7-5-6-8-18/h9-10H,5-8H2,1-4H3
• InChIKey: DBHLBQWJEMBSSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-(PYRROLIDIN-1-YL)PYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2637906
• LogD (pH = 7.4): 3.2638
• Log P: 3.2638
• Molar Refractivity: 73.9959 cm^3
• Polarizability: 29.992949 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%