B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid

C₆H₇BClNO₃CAS 957060-88-7187.39 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

957060-88-7

SMILES

COc1nccc(B(O)O)c1Cl

InChIKey

YQNAXOGPSUVHNU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Boronic acid, B-(3-chloro-2-methoxy-4-pyridinyl)-
(3-Chloro-2-methoxypyridin-4-yl)boronic acid
3-Chloro-2-methoxypyridine-4-boronic acid

Work with B-(3-Chloro-2-methoxy-4-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

(2-Methoxypyridin-3-yl)boronic acid163105-90-658 % similar 2,3-Dichloro-4-pyridineboronic acid951677-39-757 % similar 2,6-Dimethoxypyridine-3-boronic acid221006-70-846 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-945 % similar 4-Methoxypyridine-3-boronic acid355004-67-043 % similar 2-Methoxypyridne-4-boronic acid762262-09-943 % similar 2-Chloro-3-fluoropyridine-4-boronic acid937595-71-643 % similar 3-Chloro-2-methoxypyridine13472-84-942 % similar

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

Same formula

(5-Chloro-2-methoxypyridin-3-yl)boronic acid943153-22-8

Elsewhere

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