2-Methylpyridine-5-boronic acid

C₆H₈BNO₂CAS 659742-21-9136.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈BNO₂
Molar mass: 136.94 g/mol
Exact mass: 137.0648 Da
logP: -0.93Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

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

659742-21-9

SMILES

B(C1=CN=C(C=C1)C)(O)O

InChIKey

MZUSCPDSQJSBSY-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3

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Names and synonyms

1 names

6-Methylpyridine-3-boronic acid

Work with 2-Methylpyridine-5-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-Fluoropyridin-3-yl)boronic acid351019-18-655 % similar 2-Picoline-5-boronic acid pinacolate610768-32-655 % similar 2-Bromopyridine-5-boronic acid223463-14-753 % similar 2-Chloropyridine-5-boronic acid444120-91-653 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-353 % similar (6-Ethoxypyridin-3-yl)boronic acid612845-44-049 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-549 % similar 5-Hydroxy-2-methylpyridine1121-78-448 % similar

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

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 5-Methylpyridine-3-boronic acid173999-18-3 3-Aminophenylboronic acid30418-59-8 4-Methylpyridine-2-boronic acid372963-48-9 5-Methyl-2-pyridineboronic acid372963-49-0 6-Methylpyridine-2-boronic acid372963-50-3 B-(2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4

Elsewhere

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