2-Methylpyridine-5-boronic acid

C6H8BNO2CAS 659742-21-9136.94 g/mol

Open in Covalent MOL file
BNHOHO
Boronic acid

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 2-Trifluoromethyl-5-pyridineboric acid868662-36-648 % 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 (2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4

Elsewhere

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