Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-

C₁₄H₁₅BN₂O₃CAS 446299-81-6270.09 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₄H₁₅BN₂O₃
Molar mass: 270.09 g/mol
Exact mass: 270.1176 Da
logP: 0.35Crippen estimate
Polar surface area: 73.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

446299-81-6

SMILES

Cc1cc(B(O)O)cnc1N(C)C(=O)c1ccccc1

InChIKey

GQPKXFCXPPHXQJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H15BN2O3/c1-10-8-12(15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3

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Names and synonyms

1 names

Boronic acid, (6-(benzoylmethylamino)-5-methyl-3-pyridinyl)-

Work with Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-

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

N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide446299-80-565 % similar 3-(Dimethylcarbamoyl)phenylboronic acid373384-14-646 % similar 6-Bromo-5-methylpyridine-3-boronic acid1003043-34-241 % similar 6-Chloro-5-methylpyridine-3-boronic acid1003043-40-041 % similar 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid405520-68-541 % similar (6-Fluoro-5-methylpyridin-3-yl)boronic acid904326-92-741 % similar 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-741 % similar 3-(N-Benzylaminocarbonyl)phenylboronic acid625470-96-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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