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

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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 3-Amino-6-chloropyridine-2-carbonitrile95095-84-446 % 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

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

PubChem CAS Common Chemistry NIST WebBook