2-(pyrrolidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804830
• Molecular Formular: C15H23BN2O2
• Molecular Mass: 274.16632
• Monoisotopic Mass: 274.18525839
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)N1CCCC1
• InChI: InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-13(17-12)18-10-5-6-11-18/h7-9H,5-6,10-11H2,1-4H3
• InChIKey: LPILLXBRGKDUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(PYRROLIDIN-1-YL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5730457
• LogD (pH = 7.4): 4.5756664
• Log P: 4.5757
• Molar Refractivity: 76.1528 cm^3
• Polarizability: 30.882944 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%