6-Methylpyridine-2-boronic acid

C6H8BNO2CAS 372963-50-3136.94 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
372963-50-3
SMILES
B(C1=NC(=CC=C1)C)(O)O
InChIKey
XHSGIZRXEBIOFC-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4,9-10H,1H3

Weigh it out

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

Work with 6-Methylpyridine-2-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

2,6-Lutidine108-48-554 % similar 6-Bromopyridine-2-boronic acid440680-34-253 % similar 2-Chloro-6-methylpyridine-3-boronic acid536693-95-548 % similar 2-Hydroxy-6-methylpyridine3279-76-348 % similar 2-Fluoro-6-methylpyridine407-22-748 % similar 6,6'-Bi-2-picoline4411-80-748 % similar 2-Chloro-6-methylpyridine18368-63-345 % similar 6-Methyl-2-pyridinemethanol1122-71-044 % 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 (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