2-Aminopyridine-4-boronic acid pinacol ester

C₁₁H₁₇BN₂O₂CAS 1195995-72-2220.08 g/mol

Open in Covalent MOL file

Boronic ester Primary amine

Properties

Molecular formula: C₁₁H₁₇BN₂O₂
Molar mass: 220.08 g/mol
Exact mass: 220.1383 Da
logP: 0.96Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

1195995-72-2

SMILES

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

InChIKey

DCYKWKYBNWRLLZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3,(H2,13,14)

Weigh it out

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

Work with 2-Aminopyridine-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-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-062 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-657 % similar N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide1220220-21-252 % similar 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-347 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-645 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-645 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-544 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-344 % similar

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

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-2

Elsewhere

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