B-(2-Chloro-4-pyridinyl)boronic acid

C₅H₅BClNO₂CAS 458532-96-2157.36 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₅BClNO₂
Molar mass: 157.36 g/mol
Exact mass: 157.0102 Da
logP: -0.59Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

458532-96-2

SMILES

OB(O)c1ccnc(Cl)c1

InChIKey

WJYRVVDXJMJLTN-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(2-chloro-4-pyridinyl)-
Boronic acid, (2-chloro-4-pyridinyl)-
2-Chloropyridine-4-boronic acid
(2-Chloropyridin-4-yl)boronic acid
(2-Chloro-4-pyridyl)boronic acid

Work with B-(2-Chloro-4-pyridinyl)boronic 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

B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-257 % similar 2-Fluoropyridine-4-boronic acid401815-98-357 % similar 2-Bromopyridin-4-ylboronic acid458532-94-055 % similar 2-Methylpyridine-4-boronic acid579476-63-455 % similar 2-Chloro-4(1H)-pyridinone17368-12-650 % similar 2-Chloropyridine-4-boronic acid pinacol ester458532-84-850 % similar 2-Methoxypyridne-4-boronic acid762262-09-950 % similar 2,4-Dichloropyridine26452-80-248 % similar

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

Same formula

(2-Chloropyridin-3-yl)boronic acid381248-04-0 2-Chloropyridine-5-boronic acid444120-91-6 B-(4-Chloro-3-pyridinyl)boronic acid452972-10-0 (3-Chloropyridin-4-yl)boronic acid458532-98-4 5-Chloropyridine-2-boronic acid652148-91-9 (5-Chloropyridin-3-yl)boronic acid872041-85-5

Elsewhere

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