2-Chloro-5-cyanopyrazine

C₅H₂ClN₃CAS 36070-75-4139.54 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

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled93% of notifiers
H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin95.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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

36070-75-4

SMILES

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

InChIKey

GTYRFWMSDBGPTI-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-5-3-8-4(1-7)2-9-5/h2-3H

Weigh it out

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

Names and synonyms

1 names

5-Chloropyrazine-2-carbonitrile

Work with 2-Chloro-5-cyanopyrazine

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-Chloro-2-pyridinecarbonitrile89809-64-355 % similar 2,5-Dichloropyrazine19745-07-455 % similar Pyrazinecarbonitrile19847-12-250 % similar 6-Chloronicotinonitrile33252-28-750 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-148 % similar 4,6-Dichloronicotinonitrile166526-03-047 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-347 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-947 % 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 5-Chloropyrimidine-2-carbonitrile38275-56-8 3-Chloropyrazine-2-carbonitrile55557-52-3 6-Chloro-2-pyrazinecarbonitrile6863-74-7 2-Chloropyrimidine-4-carbonitrile75833-38-4

Elsewhere

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