chempirical

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

C12H15BN2O2CAS 741709-62-6230.07 g/mol

Open in Covalent MOL file
OBNNO
Boronic esterNitrile

Properties

Molecular formula
C12H15BN2O2
Molar mass
230.07 g/mol
Exact mass
230.1227 Da
Melting point
60–61 °C
logP
1.25Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
741709-62-6
SMILES
CC1(C)OB(c2ccnc(C#N)c2)OC1(C)C
InChIKey
SARWEPUHGNIVNJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-15-10(7-9)8-14/h5-7H,1-4H3

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

Names and synonyms

5 names
  • 2-Pyridinecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile
  • 2-(2-Cyanopyridin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
  • 2-Cyanopyridine-4-boronic acid pinacol ester

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile

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-Aminopyridine-4-boronic acid pinacol ester1195995-72-257 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-057 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-056 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-254 % similar N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide1220220-21-249 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-446 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-645 % similar 2,4-Pyridinedicarbonitrile29181-50-845 % similar

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

Same formula

5-Cyanopyridine-2-boronic acid pinacol ester1073353-83-9 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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