(2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid

C₁₀H₁₅BN₂O₄CAS 863753-35-9238.05 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

863753-35-9

SMILES

B(C1=C(N=CC=C1)NC(=O)OC(C)(C)C)(O)O

InChIKey

QOAIOWWKQBFCQE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with (2-[(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

2-(N-Boc-Amino)-3-methylpyridine138343-75-664 % similar 2-(Boc-amino)pyridine38427-94-054 % similar (4-Boc-aminophenyl)boronic acid380430-49-953 % similar (3-Boc-aminophenyl)boronic acid380430-68-252 % similar tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate868736-42-948 % similar 4-(Boc-amino)pyridine98400-69-248 % similar t-Butyl carbanilate3422-01-347 % similar tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-446 % similar

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

Same formula

(6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-7

Elsewhere

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