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

C6H7BClNO2CAS 1003043-40-0171.39 g/mol

Open in Covalent MOL file
BNClHOHO
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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 2,5-Dichloro-3-methylpyridine59782-88-653 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-950 % similar 6-Chloro-5-methylpyridin-3-amine38186-82-250 % similar 2-Chloro-5-fluoro-3-methylpyridine38186-84-450 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-448 % similar 3,4-Dimethylphenylboronic acid55499-43-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methylpyridine-3-boronic acid536693-95-5 B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-6 6-Chloro-4-methylpyridine-3-boronic acid913836-08-5 6-Chloro-2-methylpyridine-3-boronic acid913836-15-4

Elsewhere

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