B-[4-(3-Pyridinyl)phenyl]boronic acid

C₁₁H₁₀BNO₂CAS 170230-28-1199.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀BNO₂
Molar mass: 199.02 g/mol
Exact mass: 199.0805 Da
logP: 0.43Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
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

170230-28-1

SMILES

OB(O)c1ccc(-c2cccnc2)cc1

InChIKey

HYZNIURBDZXTGX-UHFFFAOYSA-N

InChI

InChI=1S/C11H10BNO2/c14-12(15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8,14-15H

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Names and synonyms

4 names

Boronic acid, B-[4-(3-pyridinyl)phenyl]-
Boronic acid, [4-(3-pyridinyl)phenyl]-
4-(Pyridin-3-yl)phenylboronic acid
B-(4-(3-Pyridinyl)phenyl)boronic acid

Work with B-[4-(3-Pyridinyl)phenyl]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

Pyridin-3-ylboronic acid1692-25-762 % similar 4-Biphenylboronic acid5122-94-161 % similar 4,4'-Biphenyldiboronic acid4151-80-858 % similar 3-Phenylpyridine1008-88-457 % similar 3-(4-Bromophenyl)pyridine129013-83-853 % similar 4-(Pyridin-3-yl)aniline82261-42-553 % similar 4-Pyridin-3-yl-benzoic acid4385-75-549 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-749 % similar

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

Same formula

(3-(Pyridin-3-yl)phenyl)boronic acid351422-72-5

Elsewhere

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