6-Chloro-2-methylpyridine-3-boronic acid

C₆H₇BClNO₂CAS 913836-15-4171.39 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

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

Identifiers

CAS number

913836-15-4

SMILES

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

InChIKey

WEKRUIAZOLIAOG-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 6-Chloro-2-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

2,6-Dichloropyridine-3-boronic acid148493-34-961 % similar 3-Bromo-6-chloro-2-methylpyridine132606-40-748 % similar 3-Amino-6-chloro-2-picoline164666-68-648 % similar 6-Chloro-3-iodo-2-methylpyridine249291-79-048 % similar 6-Chloro-3-fluoro-2-methylpyridine884494-78-448 % similar 2-Methylpyridine-3-boronic acid899436-71-647 % similar 6-Chloro-3-formyl-2-picoline884495-36-744 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-242 % 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 B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid913836-08-5

Elsewhere

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