2-(cyclopropylmethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 294093
• Molecular Formular: C15H22BNO3
• Molecular Mass: 275.15108
• Monoisotopic Mass: 275.16927397
• SMILES: CC1(C)C(C)(C)OB(c2cnc(OCC3CC3)cc2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1)OCC1CC1
• InChI: InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-9-12)18-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
• InChIKey: QEQNYJUPYICBCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-(Cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Cyclopropylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 6-(Cyclopropylmethoxy)pyridine-3-boronic acid pinacol ester; 6-(环丙基甲氧基)吡啶-3-硼酸频哪醇酯

Database IDs

• CAS Number: 947191-69-7
• MDL Number: MFCD07781184
• PubChem SID: 180679624
• PubChem CID: 24208797

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.744237
• LogD (pH = 7.4): 3.7442992
• Log P: 3.7443
• Molar Refractivity: 72.2749 cm^3
• Polarizability: 30.418663 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• 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: 97%; 98%