2-(cyclopentyloxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 297421
• Molecular Formular: C16H24BNO3
• Molecular Mass: 289.17766
• Monoisotopic Mass: 289.18492403
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cccnc1OC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccnc1OC1CCCC1
• InChI: InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)13-10-7-11-18-14(13)19-12-8-5-6-9-12/h7,10-12H,5-6,8-9H2,1-4H3
• InChIKey: GZCZGFSEHAZEPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentyloxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(cyclopentyloxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Cyclopentyloxypyridine-3-boronic acid pinacol ester; 2-(环戊氧基)-吡啶-3-硼酸频哪醇酯

Database IDs

• CAS Number: 1073371-90-0
• MDL Number: MFCD07781170
• PubChem SID: 180682952
• PubChem CID: 24208792

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2231097
• LogD (pH = 7.4): 4.223199
• Log P: 4.2232
• Molar Refractivity: 76.7461 cm^3
• Polarizability: 32.262207 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%