B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid

C₆H₇BClNO₂CAS 913835-86-6171.39 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₇BClNO₂
Molar mass: 171.39 g/mol
Exact mass: 171.0258 Da
logP: -0.28Crippen 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 irritation100% of notifiers

Aggregated from 5 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

913835-86-6

SMILES

Cc1cnc(Cl)c(B(O)O)c1

InChIKey

ZMHWEBDZKPQNHG-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(2-chloro-5-methyl-3-pyridinyl)-
Boronic acid, (2-chloro-5-methyl-3-pyridinyl)-
(2-Chloro-5-methylpyridin-3-yl)boronic acid
2-Chloro-5-methylpyridine-3-boronic acid

Work with B-(2-Chloro-5-methyl-3-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

(2,5-Dichloropyridin-3-yl)boronic acid536693-97-765 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-656 % similar 3-Bromo-2-chloro-5-methylpyridine17282-03-052 % similar 2-Chloro-5-methylpyridin-3-amine34552-13-152 % similar 2-Chloro-3-fluoro-5-methylpyridine34552-15-352 % similar 2-Chloro-5-methylphenylboronic acid193353-35-450 % similar 5-Methyl-2-pyridineboronic acid372963-49-048 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-methylpyridine-3-boronic acid1003043-40-0 2-Chloro-6-methylpyridine-3-boronic acid536693-95-5 6-Chloro-4-methylpyridine-3-boronic acid913836-08-5 6-Chloro-2-methylpyridine-3-boronic acid913836-15-4

Elsewhere

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