(5-Chloro-2-methoxypyridin-3-yl)boronic acid

C₆H₇BClNO₃CAS 943153-22-8187.39 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₆H₇BClNO₃
Molar mass: 187.39 g/mol
Exact mass: 187.0208 Da
logP: -0.58Crippen estimate
Polar surface area: 62.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

943153-22-8

SMILES

B(C1=CC(=CN=C1OC)Cl)(O)O

InChIKey

BZJQXIUWWLFBJS-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BClNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3

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Work with (5-Chloro-2-methoxypyridin-3-yl)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

(2,5-Dichloropyridin-3-yl)boronic acid536693-97-757 % similar 3-Bromo-5-chloro-2-methoxy-pyridine102830-75-154 % similar 5-Chloro-2-fluoropyridine-3-boronic Acid937595-70-554 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-453 % similar (2-Methoxypyridin-3-yl)boronic acid163105-90-650 % similar 4-Chloro-2-methoxyphenylboronic acid762287-57-049 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-949 % similar 5-Fluoro-6-methoxypyridine-3-boronic acid856250-60-746 % similar

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

Same formula

B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid957060-88-7

Elsewhere

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