3,5-Dichloro-2-pyrazinecarbonitrile

C₅HCl₂N₃CAS 313339-92-3173.98 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

313339-92-3

SMILES

N#Cc1ncc(Cl)nc1Cl

InChIKey

SDTCGHLDTSGIRR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

2-Pyrazinecarbonitrile, 3,5-dichloro-
Pyrazinecarbonitrile, 3,5-dichloro-
3,5-Dichloropyrazine-2-carbonitrile

Work with 3,5-Dichloro-2-pyrazinecarbonitrile

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 2,6-Dichloropyridine-3-carbonitrile40381-90-648 % similar 2-Chloro-5-cyanopyrazine36070-75-447 % similar 2-Amino-3,5-dichloropyrazine873-42-747 % similar 6-Chloro-2-pyrazinecarbonitrile6863-74-745 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-443 % similar 3,5-Dichloro-2-cyanopyridine85331-33-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-cyanopyrimidine3177-24-0 3,6-Dichloropyrazine-2-carbonitrile356783-16-9 4,6-Dichloropyrimidine-5-carbonitrile5305-45-3

Elsewhere

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