5-Methylpyridine-3-boronic acid

C6H8BNO2CAS 173999-18-3136.94 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

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 9 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
173999-18-3
SMILES
B(C1=CC(=CN=C1)C)(O)O
InChIKey
REONQWGHSQHTAC-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4,9-10H,1H3

Weigh it out

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

Work with 5-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

3,5-Dimethylphenylboronic acid172975-69-858 % similar 3,5-Lutidine591-22-054 % similar 5-Bromopyridine-3-boronic acid452972-09-753 % similar (5-Chloropyridin-3-yl)boronic acid872041-85-553 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-653 % similar 5-Methoxypyridine-3-boronic acid850991-69-453 % similar 3-Methylphenylboronic acid17933-03-850 % similar 3-Hydroxy-5-methylpyridine42732-49-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 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 (2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4 2-Methylpyridine-5-boronic acid659742-21-9

Elsewhere

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