3,6-Dichloropyrazine-2-carbonitrile

C₅HCl₂N₃CAS 356783-16-9173.98 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅HCl₂N₃
Molar mass: 173.98 g/mol
Exact mass: 172.9548 Da
logP: 1.66Crippen 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

356783-16-9

SMILES

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

InChIKey

UZHXXRRBFJSFCV-UHFFFAOYSA-N

InChI

InChI=1S/C5HCl2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H

Weigh it out

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Work with 3,6-Dichloropyrazine-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

3-Chloropyrazine-2-carbonitrile55557-52-353 % similar 5,6-Dichloro-2,3-dicyanopyrazine56413-95-750 % similar 2-Chloro-5-cyanopyrazine36070-75-447 % similar 6-Chloro-2-pyrazinecarbonitrile6863-74-745 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-644 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-842 % similar 2-Amino-3,5-dichloropyrazine873-42-742 % similar 6-Chloronicotinonitrile33252-28-741 % similar

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

Same formula

3,5-Dichloro-2-pyrazinecarbonitrile313339-92-3 2,4-Dichloro-5-cyanopyrimidine3177-24-0 4,6-Dichloropyrimidine-5-carbonitrile5305-45-3

Elsewhere

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