(6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid

C₁₀H₁₅BN₂O₄CAS 883231-20-7238.05 g/mol

Open in Covalent MOL file

Boronic acid Carbamate

Properties

Molecular formula: C₁₀H₁₅BN₂O₄
Molar mass: 238.05 g/mol
Exact mass: 238.1125 Da
logP: 0.11Crippen estimate
Polar surface area: 91.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

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

883231-20-7

SMILES

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

InChIKey

KAFAFKANQAGBRH-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BN2O4/c1-10(2,3)17-9(14)13-8-5-4-7(6-12-8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)

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Names and synonyms

1 names

2-Boc-amino pyridine-5-boronic acid

Work with (6-((tert-Butoxycarbonyl)amino)pyridin-3-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

tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-673 % similar (4-Boc-aminophenyl)boronic acid380430-49-965 % similar 2-(Boc-amino)-5-bromopyridine159451-66-862 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-562 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-760 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-258 % similar (3-Boc-aminophenyl)boronic acid380430-68-256 % similar 2-(Boc-amino)pyridine38427-94-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-9

Elsewhere

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