chempirical

tert-Butyl (5-bromopyrazin-2-yl)carbamate

C9H12BrN3O2CAS 914349-79-4274.12 g/mol

Open in Covalent MOL file
OOHNNNBr
Aryl halideCarbamate

Properties

Molecular formula
C9H12BrN3O2
Molar mass
274.12 g/mol
Exact mass
273.0113 Da
logP
2.59Crippen estimate
Polar surface area
64.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

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
914349-79-4
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=N1)Br
InChIKey
PNYUSBALYDXDRK-UHFFFAOYSA-N
InChI
InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14)

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Names and synonyms

1 names
  • (5-Bromopyrazin-2-yl)carbamic acid tert-butyl ester

Work with tert-Butyl (5-bromopyrazin-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

2-(Boc-amino)-5-bromopyridine159451-66-864 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-856 % similar 4-(Boc-amino)-2-bromopyridine433711-95-656 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-754 % similar 2-(Boc-amino)pyridine38427-94-053 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-553 % similar N-Boc-2-amino-5-bromothiazole405939-39-153 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-553 % similar

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

Elsewhere

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