3-Chloropyrazine-2-carbonitrile

C₅H₂ClN₃CAS 55557-52-3139.54 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂ClN₃
Molar mass: 139.54 g/mol
Exact mass: 138.9937 Da
logP: 1.00Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

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

55557-52-3

SMILES

C1=CN=C(C(=N1)C#N)Cl

InChIKey

SDLFAEGTVBPHBK-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-5-4(3-7)8-1-2-9-5/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Chloropyrazine-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

2,3-Dicyanopyrazine13481-25-964 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-353 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-953 % similar 5,6-Dichloro-2,3-dicyanopyrazine56413-95-752 % similar 3-Aminopyrazine-2-carbonitrile25911-65-350 % similar 3-Chloropyridine-2-carbonitrile38180-46-050 % similar 2,3-Dichloropyrazine4858-85-950 % similar 2-Chloro-3-cyanopyridine6602-54-650 % similar

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

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3 6-Chloro-3-pyridazinecarbonitrile35857-89-7 2-Chloro-5-cyanopyrazine36070-75-4 5-Chloropyrimidine-2-carbonitrile38275-56-8 6-Chloro-2-pyrazinecarbonitrile6863-74-7 2-Chloropyrimidine-4-carbonitrile75833-38-4

Elsewhere

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