(3-(Pyridin-3-yl)phenyl)boronic acid

C₁₁H₁₀BNO₂CAS 351422-72-5199.02 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

351422-72-5

SMILES

B(C1=CC(=CC=C1)C2=CN=CC=C2)(O)O

InChIKey

SSVQXHWHJJERAP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with (3-(Pyridin-3-yl)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 acid1692-25-763 % similar Biphenyl-3-boronic acid5122-95-261 % similar 1,3,5-Tri(m-pyrid-3-ylphenyl)benzene921205-03-060 % similar 3-(Naphthalene-2-yl)phenylboronic acid870774-29-154 % similar 1,3-Benzenediboronic acid4612-28-652 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-149 % similar 3-Phenylpyridine1008-88-448 % similar 3-(Pyridin-3-yl)benzoic acid4385-77-748 % similar

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

Same formula

B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-1

Elsewhere

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