chempirical

2-Methylpyridine-3-boronic acid

C6H8BNO2CAS 899436-71-6136.94 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
899436-71-6
SMILES
B(C1=C(N=CC=C1)C)(O)O
InChIKey
TWKMYNQPIICYNV-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4,9-10H,1H3

Weigh it out

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

Work with 2-Methylpyridine-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

(2-Methoxypyridin-3-yl)boronic acid163105-90-659 % similar 2-Fluoropyridine-3-boronic acid174669-73-955 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-055 % similar 2-Bromopyridin-3-ylboronic acid452972-08-655 % similar 2-Ethoxy-3-pyridineboronic acid854373-97-054 % similar 8-Quinolineboronic acid86-58-853 % similar Quinolin-5-ylboronic acid355386-94-652 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-851 % 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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