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

• ChemBase ID: 65623
• Molecular Formular: C12H17BClNO2
• Molecular Mass: 253.53288
• Monoisotopic Mass: 253.10408687
• SMILES: c1c(c(nc(c1)Cl)B1OC(C(O1)(C)C)(C)C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1nc(Cl)ccc1C
• InChI: InChI=1S/C12H17BClNO2/c1-8-6-7-9(14)15-10(8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
• InChIKey: KGCCRLWSFGILDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 6-chloro-3-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-Chloro-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• MDL Number: MFCD18719945
• PubChem SID: 162031362
• PubChem CID: 71299118

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.643
• LogD (pH = 7.4): 4.643
• Log P: 4.643
• Molar Refractivity: 64.777 cm^3
• Polarizability: 26.802172 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%