chempirical

3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile

C7H5BrClN3CAS 2043020-03-5246.49 g/mol

Open in Covalent MOL file
NNNBrCl
Aryl halideNitrile

Properties

Molecular formula
C7H5BrClN3
Molar mass
246.49 g/mol
Exact mass
244.9355 Da
logP
2.33Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
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
2043020-03-5
SMILES
CCC1=C(N=C(C(=N1)C#N)Br)Cl
InChIKey
HCMXNBIQKDSVNF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClN3/c1-2-4-7(9)12-6(8)5(3-10)11-4/h2H2,1H3

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Work with 3-Bromo-5-chloro-6-ethylpyrazine-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

5,6-Dichloro-2,3-dicyanopyrazine56413-95-742 % similar 3-Chloropyrazine-2-carbonitrile55557-52-334 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-334 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-934 % similar 4,5-Dichloro-6-ethylpyrimidine115617-41-932 % similar 4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-330 % similar 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-930 % similar 3-Bromo-6-methylpyridine-2-carbonitrile717843-48-630 % similar

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

Elsewhere

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