6-Chloro-4-methylpyridine-3-boronic acid

C₆H₇BClNO₂CAS 913836-08-5171.39 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 the 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

913836-08-5

SMILES

Cc1cc(Cl)ncc1B(O)O

InChIKey

HMDMMWUUIMJRAQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid
Boronic acid, B-(6-chloro-4-methyl-3-pyridinyl)-
Boronic acid, (6-chloro-4-methyl-3-pyridinyl)-
(2-Chloro-4-methyl-pyridin-5-yl)boronic acid
(6-Chloro-4-methylpyridin-3-yl)boronic acid
2-Chloro-4-methylpyridine-5-boronic acid

Work with 6-Chloro-4-methylpyridine-3-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-Dichloropyridine-4-boronic acid847664-64-658 % similar 2,4-Dichloro-5-methylpyridine56961-78-553 % similar 6-Chloro-4-methyl-3-pyridinamine66909-38-450 % similar 5-Bromo-2-chloro-4-methylpyridine778611-64-650 % similar 2-Chloro-5-methyl-4-pyridinamine79055-62-250 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-249 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-146 % similar 4-Methylpyridine-3-boronic acid148546-82-146 % 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 B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-6 6-Chloro-2-methylpyridine-3-boronic acid913836-15-4

Elsewhere

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