chempirical

5-Bromo-3-nitropyridine-2-carbonitrile

C6H2BrN3O2CAS 573675-25-9228.00 g/mol

Open in Covalent MOL file
NN+OO−NBr
Aryl halideNitrileNitro

Properties

Molecular formula
C6H2BrN3O2
Molar mass
228.00 g/mol
Exact mass
226.9330 Da
logP
1.62Crippen estimate
Polar surface area
79.8 Ų
H-bond donors / acceptors
0 / 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
573675-25-9
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])C#N)Br
InChIKey
OBVYONPVHIOJJZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H

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Work with 5-Bromo-3-nitropyridine-2-carbonitrile

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

5-Chloro-3-nitropyridine-2-carbonitrile181123-11-565 % similar 2,5-Dibromo-3-nitropyridine15862-37-061 % similar 5-Bromo-3-nitro-2(1H)-pyridinone15862-34-757 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-357 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-257 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-457 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-554 % similar 2-Cyano-3-nitropyridine51315-07-254 % similar

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

Elsewhere

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