2-(Boc-amino)-5-bromopyridine

C₁₀H₁₃BrN₂O₂CAS 159451-66-8273.13 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
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

159451-66-8

SMILES

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

InChIKey

CKXAMCSVTNPSCZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-(N-Boc-amino)-5-bromopyridine

Work with 2-(Boc-amino)-5-bromopyridine

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 (5-bromopyrazin-2-yl)carbamate914349-79-464 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-764 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-263 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-562 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-262 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-762 % similar tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-660 % similar 2-(Boc-amino)pyridine38427-94-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-8 4-(Boc-amino)-2-bromopyridine433711-95-6

Elsewhere

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