chempirical

B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid

C6H7BClNO2CAS 913836-08-5171.39 g/mol

Open in Covalent MOL file
ClNBOHHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

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

5 names
  • 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 B-(6-Chloro-4-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

6-Chloro-4-methyl-3-pyridinamine66909-38-450 % similar 2-Chloro-5-methyl-4-pyridinamine79055-62-250 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-146 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-043 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-943 % similar 4-Bromo-2,5-dimethylphenylboronic acid130870-00-742 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-242 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-842 % similar

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

Same formula

6-Chloro-5-methylpyridine-3-boronic acid1003043-40-0 B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-6

Elsewhere

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