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

C₆H₇BClNO₂CAS 536693-95-5171.39 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

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

Identifiers

CAS number

536693-95-5

SMILES

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

InChIKey

ANQOEORPINPUEB-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Chloro-6-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-2-chloro-6-picoline185017-72-548 % similar 6-Methylpyridine-2-boronic acid372963-50-348 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-648 % similar 3-Amino-2-chloro-6-picoline39745-40-948 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-047 % similar 2-Chloro-5-methylphenylboronic acid193353-35-446 % similar 2-Chloroquinoline-3-boronic acid128676-84-645 % 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 B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid913836-08-5

Elsewhere

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