tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate

C₁₆H₂₅BN₂O₄CAS 910462-31-6320.20 g/mol

Open in Covalent MOL file

Boronic ester Carbamate

Properties

Molecular formula: C₁₆H₂₅BN₂O₄
Molar mass: 320.20 g/mol
Exact mass: 320.1907 Da
logP: 2.73Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

910462-31-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)OC(C)(C)C

InChIKey

USZVCDRKIVKICD-UHFFFAOYSA-N

InChI

InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-9-8-11(10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)

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Names and synonyms

1 names

2-(tert-Butoxycarbonylamino)pyridine-5-boronic acid, pinacol ester

Work with tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate

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

(6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-773 % similar tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-667 % similar 2-(Boc-amino)-5-bromopyridine159451-66-860 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-559 % similar tert-Butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate330793-09-458 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-757 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-256 % similar tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-454 % similar

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

Same formula

1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-0

Elsewhere

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