(3-Methylpyridin-4-yl)boronic acid

C₆H₈BNO₂CAS 894808-72-1136.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈BNO₂
Molar mass: 136.94 g/mol
Exact mass: 137.0648 Da
logP: -0.93Crippen estimate
Polar surface area: 53.4 Å²
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

894808-72-1

SMILES

B(C1=C(C=NC=C1)C)(O)O

InChIKey

KSERCJHSQPNSJM-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(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

3-Methylpyridine-4-boronic acid

Work with (3-Methylpyridin-4-yl)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

(3-Fluoropyridin-4-yl)boronic acid458532-97-355 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-455 % similar 3,4-Dimethylpyridine583-58-452 % similar 2-Methylphenylboronic acid16419-60-652 % similar 4-Methoxypyridine-3-boronic acid355004-67-050 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-050 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-047 % similar Isoquinoline-5-boronic acid371766-08-446 % 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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