5-Cyanopyridine-2-boronic acid pinacol ester

C₁₂H₁₅BN₂O₂CAS 1073353-83-9230.07 g/mol

Open in Covalent MOL file

Boronic ester Nitrile

Properties

Molecular formula: C₁₂H₁₅BN₂O₂
Molar mass: 230.07 g/mol
Exact mass: 230.1227 Da
logP: 1.25Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

1073353-83-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=NC=C(C=C2)C#N

InChIKey

USYWPRFJTBASTH-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-6-5-9(7-14)8-15-10/h5-6,8H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Cyanopyridine-2-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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-259 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-050 % similar [2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-544 % similar 6-Chloronicotinonitrile33252-28-741 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-240 % similar 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine652148-92-040 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-739 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole1086111-09-238 % similar

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

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-6 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-7 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-4

Elsewhere

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