4-(Boc-amino)-2-bromopyridine

C₁₀H₁₃BrN₂O₂CAS 433711-95-6273.13 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
H319 Causes serious eye irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

433711-95-6

SMILES

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

InChIKey

DCYAZECOQNZWBD-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

(2-Bromo-pyridin-4-yl)carbamic acid tert-butyl ester

Work with 4-(Boc-amino)-2-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

4-(Boc-amino)pyridine98400-69-263 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-257 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-456 % similar t-Butyl carbanilate3422-01-354 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-753 % similar N-Boc-M-phenylenediamine68621-88-552 % similar 2-(Boc-amino)pyridine38427-94-051 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Boc-amino)-5-bromopyridine159451-66-8 tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-8

Elsewhere

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