chempirical

4-Methoxypyridine-3-boronic acid

C6H8BNO3CAS 355004-67-0152.94 g/mol

Open in Covalent MOL file
BNOHOHO
Boronic acidEther

Properties

Molecular formula
C6H8BNO3
Molar mass
152.94 g/mol
Exact mass
153.0597 Da
logP
-1.23Crippen estimate
Polar surface area
62.6 Ų
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
355004-67-0
SMILES
B(C1=C(C=CN=C1)OC)(O)O
InChIKey
YUTPAZKVEOJQCY-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4,9-10H,1H3

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Names and synonyms

1 names
  • 4-Methoxy-3-pyridineboronic acid

Work with 4-Methoxypyridine-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

2-Methoxyphenylboronic acid5720-06-956 % similar 4-Methylpyridine-3-boronic acid148546-82-155 % similar 2,5-Dimethoxyphenylboronic acid107099-99-051 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-350 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-050 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-049 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-149 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-449 % similar

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

Same formula

(6-Methoxypyridin-3-yl)boronic acid163105-89-3 (2-Methoxypyridin-3-yl)boronic acid163105-90-6

Elsewhere

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