2-Cyanopyridin-3-ylboronic acid

C₆H₅BN₂O₂CAS 874290-88-7147.93 g/mol

Open in Covalent MOL file

Boronic acid Nitrile

Properties

Molecular formula: C₆H₅BN₂O₂
Molar mass: 147.93 g/mol
Exact mass: 148.0444 Da
logP: -1.37Crippen estimate
Polar surface area: 77.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Hydroxypyridine-2-carbonitrile932-35-455 % 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-Methylpyridine-2-carbonitrile20970-75-650 % 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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