5-Methyl-2-pyridineboronic acid

C6H8BNO2CAS 372963-49-0136.94 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 the 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
372963-49-0
SMILES
B(C1=NC=C(C=C1)C)(O)O
InChIKey
VDRIXWWGBDNWCM-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4,9-10H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 5-Methylpyridine-2-boronic acid

Work with 5-Methyl-2-pyridineboronic 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

5-Chloropyridine-2-boronic acid652148-91-959 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-048 % similar B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-648 % similar 2-Hydroxy-5-methylpyridine1003-68-548 % similar 2-Fluoro-5-methylpyridine2369-19-948 % similar 2-Hydroxy-5-methylpyridine91914-06-648 % similar 5,5′-Dimethyl-2,2′-bipyridine1762-34-148 % similar Tolylboronic acid5720-05-846 % 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 6-Methylpyridine-2-boronic acid372963-50-3 (2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4 2-Methylpyridine-5-boronic acid659742-21-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook