chempirical

2-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C14H22BNO3CAS 871839-91-7263.14 g/mol

Open in Covalent MOL file
BOONO
Boronic esterEther

Properties

Molecular formula
C14H22BNO3
Molar mass
263.14 g/mol
Exact mass
263.1693 Da
logP
2.17Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

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
871839-91-7
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC(C)C
InChIKey
WCAIJTJWLUYXIW-UHFFFAOYSA-N
InChI
InChI=1S/C14H22BNO3/c1-10(2)17-12-8-7-11(9-16-12)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3

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Work with 2-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-966 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-563 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-058 % similar 2-Picoline-5-boronic acid pinacolate610768-32-656 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-055 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-955 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-751 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-751 % similar

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

Elsewhere

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