5-Methoxypyridine-3-boronic acid

C₆H₈BNO₃CAS 850991-69-4152.94 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₆H₈BNO₃
Molar mass: 152.94 g/mol
Exact mass: 153.0597 Da
logP: -1.23Crippen estimate
Polar surface area: 62.6 Å²
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

850991-69-4

SMILES

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

InChIKey

ISDFOFZTZUILPE-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3

Weigh it out

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Work with 5-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

3,5-Dimethoxyphenylboronic acid192182-54-062 % similar 3-Methoxypyridine-5-boronic acid pinacol ester445264-60-856 % similar (3-Methoxyphenyl)boronic acid10365-98-755 % similar 5-Methylpyridine-3-boronic acid173999-18-353 % similar (4-Methoxyphenyl)boronic acid5720-07-052 % similar 3-Fluoro-5-methoxyphenylboronic acid609807-25-251 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-951 % similar 6-Methoxy-2-naphthaleneboronic acid156641-98-449 % 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 4-Methoxypyridine-3-boronic acid355004-67-0 2-Methoxypyridne-4-boronic acid762262-09-9

Elsewhere

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