chempirical

2-Methylpyridine-4-boronic acid

C6H8BNO2CAS 579476-63-4136.94 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
579476-63-4
SMILES
B(C1=CC(=NC=C1)C)(O)O
InChIKey
UFYBTLOLWSABAU-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4,9-10H,1H3

Weigh it out

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

Work with 2-Methylpyridine-4-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-Dimethyl-pyridine-4-boronic acid846548-44-557 % similar 2-Fluoropyridine-4-boronic acid401815-98-357 % similar 2-Bromopyridin-4-ylboronic acid458532-94-055 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-255 % similar 2-Methoxypyridne-4-boronic acid762262-09-955 % similar 2-Methylpyridine-4-boronic acid pinacol ester660867-80-151 % similar 2,4-Lutidine108-47-448 % similar Pyridine-4-boronic acid1692-15-546 % 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-5-boronic acid659742-21-9

Elsewhere

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