chempirical

6-Benzyloxypyridine-3-boronic acid

C12H12BNO3CAS 929250-35-1229.04 g/mol

Open in Covalent MOL file
BNOHOHO
Boronic acidEther

Properties

Molecular formula
C12H12BNO3
Molar mass
229.04 g/mol
Exact mass
229.0910 Da
logP
0.34Crippen estimate
Polar surface area
62.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

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
929250-35-1
SMILES
B(C1=CN=C(C=C1)OCC2=CC=CC=C2)(O)O
InChIKey
CUZOGAUUSKBDAO-UHFFFAOYSA-N
InChI
InChI=1S/C12H12BNO3/c15-13(16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2

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Names and synonyms

1 names
  • 2-Benzyloxy-pyridine-5-boronic acid

Work with 6-Benzyloxypyridine-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

(6-Ethoxypyridin-3-yl)boronic acid612845-44-061 % similar 6-(Benzyloxy)pyridin-3-ol725256-57-561 % similar 4-Benzyloxy-phenylboronic acid146631-00-759 % similar 2-Benzyloxy-5-bromopyridine83664-33-956 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-353 % similar 3-Benzyloxy-phenylboronic acid156682-54-151 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-951 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-750 % similar

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

Elsewhere

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