chempirical

2-Chloropyridine-4-boronic acid pinacol ester

C11H15BClNO2CAS 458532-84-8239.51 g/mol

Open in Covalent MOL file
BOONCl
Aryl halideBoronic ester

Properties

Molecular formula
C11H15BClNO2
Molar mass
239.51 g/mol
Exact mass
239.0884 Da
logP
2.03Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
458532-84-8
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
InChIKey
UUEQDBHKMOFLDP-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3

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Names and synonyms

1 names
  • 2-Chloropyridine-4-boronic acid, pinacol ester

Work with 2-Chloropyridine-4-boronic acid pinacol ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-365 % similar 2-Aminopyridine-4-boronic acid pinacol ester1195995-72-262 % similar 2-Bromo-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine458532-82-662 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-062 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-858 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-657 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-256 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-9 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-1 4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-5 3-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine458532-90-6 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine652148-92-0

Elsewhere

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