chempirical

2-Cyanopyridin-3-ylboronic acid

C6H5BN2O2CAS 874290-88-7147.93 g/mol

Open in Covalent MOL file
BNNHOHO
Boronic acidNitrile

Properties

Molecular formula
C6H5BN2O2
Molar mass
147.93 g/mol
Exact mass
148.0444 Da
logP
-1.37Crippen estimate
Polar surface area
77.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

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
874290-88-7
SMILES
B(C1=C(N=CC=C1)C#N)(O)O
InChIKey
CXEXJQAXEPPQHH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H

Weigh it out

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

Names and synonyms

1 names
  • (2-Cyanopyridin-3-yl)boronic acid

Work with 2-Cyanopyridin-3-ylboronic acid

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

3-Hydroxy-2-pyridinecarbonitrile932-35-455 % similar 2-Cyanophenylboronic acid138642-62-353 % similar Pyridine-2,3-dicarbonitrile17132-78-453 % similar 3-Bromopyridine-2-carbonitrile55758-02-652 % similar 2-Fluoropyridine-3-boronic acid174669-73-950 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-650 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-050 % similar 3-Chloropyridine-2-carbonitrile38180-46-050 % similar

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

Elsewhere

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