chempirical

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

C11H16BNO2CAS 329214-79-1205.06 g/mol

Open in Covalent MOL file
BOON
Boronic ester

Properties

Molecular formula
C11H16BNO2
Molar mass
205.06 g/mol
Exact mass
205.1274 Da
logP
1.38Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
329214-79-1
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
InChIKey
XEMDFESAXKSEGI-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3

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Work with 3-(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

Pyrimidine-5-boronic acid pinacol ester321724-19-061 % similar Phenylboronic acid pinacol ester24388-23-660 % similar 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-158 % 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 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-054 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-653 % similar Pyridine-3-boronic acid 1,3-propanediol cyclic ester131534-65-151 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-851 % 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)pyridine181219-01-2

Elsewhere

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