tert-Butyl N-(4-bromopyridin-2-yl)carbamate

C₁₀H₁₃BrN₂O₂CAS 207799-10-8273.13 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₁₀H₁₃BrN₂O₂
Molar mass: 273.13 g/mol
Exact mass: 272.0160 Da
logP: 3.19Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

207799-10-8

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)Br

InChIKey

IRRRVCLDPODLJG-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)

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Names and synonyms

1 names

tert-Butyl 4-bromopyridin-2-ylcarbamate

Work with tert-Butyl N-(4-bromopyridin-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

(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-767 % similar 2-(Boc-amino)pyridine38427-94-062 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-257 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-456 % similar tert-Butyl (4-bromothiophen-2-yl)carbamate868387-45-552 % similar 4-(Boc-amino)pyridine98400-69-251 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-749 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Boc-amino)-5-bromopyridine159451-66-8 4-(Boc-amino)-2-bromopyridine433711-95-6

Elsewhere

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