4-[3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

• ChemBase ID: 807664
• Molecular Formular: C15H22BClN2O3
• Molecular Mass: 324.61078
• Monoisotopic Mass: 324.14120065
• SMILES: CC1(C)OB(OC1(C)C)c1c(c(ncc1)N1CCOCC1)Cl
• Canonical SMILES: Clc1c(nccc1B1OC(C(O1)(C)C)(C)C)N1CCOCC1
• InChI: InChI=1S/C15H22BClN2O3/c1-14(2)15(3,4)22-16(21-14)11-5-6-18-13(12(11)17)19-7-9-20-10-8-19/h5-6H,7-10H2,1-4H3
• InChIKey: ALVOSNAIBGPIGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• Synonyms: 3-CHLORO-2-(4-MORPHOLINO)PYRIDINE-4-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 957198-28-6

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.726638
• LogD (pH = 7.4): 3.7268968
• Log P: 3.7269
• Molar Refractivity: 82.1776 cm^3
• Polarizability: 33.496704 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%