chempirical

Pyridine-2-boronic acid dimethyl ester

C7H10BNO2CAS 136805-54-4150.97 g/mol

Open in Covalent MOL file
BNOO
Boronic ester

Properties

Molecular formula
C7H10BNO2
Molar mass
150.97 g/mol
Exact mass
151.0805 Da
logP
0.07Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
136805-54-4
SMILES
B(C1=CC=CC=N1)(OC)OC
InChIKey
ITSIDKYMJQVPQQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10BNO2/c1-10-8(11-2)7-5-3-4-6-9-7/h3-6H,1-2H3

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Names and synonyms

1 names
  • Dimethyl pyridin-2-ylboronate

Work with Pyridine-2-boronic acid dimethyl ester

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-Methoxypyridine1628-89-343 % similar 2-(Methoxymethyl)pyridine23579-92-239 % similar 2-(Methylthio)pyridine18438-38-539 % similar 2-Methylpyridine109-06-838 % similar 2-Methylpyridine1333-41-138 % similar 2,2′-Bipyridine366-18-737 % similar Methyl picolinate2459-07-636 % similar 2-Ethoxypyridine14529-53-435 % similar

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

Elsewhere

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