chempirical

4-Amino-3-bromo-5-nitropyridine

C5H4BrN3O2CAS 89284-05-9218.01 g/mol

Open in Covalent MOL file
NBrNH2N+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C5H4BrN3O2
Molar mass
218.01 g/mol
Exact mass
216.9487 Da
logP
1.33Crippen estimate
Polar surface area
82.0 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
89284-05-9
SMILES
C1=C(C(=C(C=N1)Br)N)[N+](=O)[O-]
InChIKey
UXDLBXRMNSJEPB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrN3O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,(H2,7,8)

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Work with 4-Amino-3-bromo-5-nitropyridine

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

3-Bromo-4-chloro-5-nitropyridine31872-63-661 % similar 3-Bromo-4-methyl-5-nitropyridine69872-15-761 % similar 3-Chloro-5-nitropyridin-4-amine89284-28-661 % similar 2-Bromo-6-nitrobenzenamine59255-95-760 % similar 2-Bromo-4,6-dinitroaniline1817-73-857 % similar 2,4-Dibromo-6-nitroaniline827-23-657 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-555 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-754 % similar

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

Same formula

3-Bromo-5-nitro-2-pyridinamine15862-31-4 6-Bromo-3-hydroxypyrazine-2-carboxamide259793-88-9 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-7 5-Bromo-3-nitro-2-pyridinamine6945-68-2 6-Bromo-3-nitro-2-pyridinamine84487-04-7

Elsewhere

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