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

• ChemBase ID: 63753
• Molecular Formular: C12H18BNO2
• Molecular Mass: 219.08782
• Monoisotopic Mass: 219.14305922
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cnc(cc1)C
• Canonical SMILES: Cc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H18BNO2/c1-9-6-7-10(8-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
• InChIKey: JEECGGXGHJUYMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Methylpyridine-5-boronic acid, pinacol ester; 6-Methylpyridine-3-boronic acid, pinacol ester; 2-Picoline-5-boronic acid pinacol ester

Database IDs

• CAS Number: 610768-32-6
• MDL Number: MFCD08669608
• PubChem SID: 162029492
• PubChem CID: 16414272

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6990113
• LogD (pH = 7.4): 2.758287
• Log P: 2.7591
• Molar Refractivity: 58.1477 cm^3
• Polarizability: 24.867838 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%