6-Chloro-5-methylpyridine-3-boronic acid

C₆H₇BClNO₂CAS 1003043-40-0171.39 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

Identifiers

CAS number

1003043-40-0

SMILES

B(C1=CC(=C(N=C1)Cl)C)(O)O

InChIKey

WWOOKOBRTKSRLV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3-methylpyridine-5-boronic acid

Work with 6-Chloro-5-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

6-Bromo-5-methylpyridine-3-boronic acid1003043-34-259 % similar (6-Fluoro-5-methylpyridin-3-yl)boronic acid904326-92-759 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-448 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-344 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-443 % similar Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-446299-81-641 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-639 % similar (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-138 % similar

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

Same formula

B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-6 B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid913836-08-5

Elsewhere

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