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Administrative data

Description of key information

ACD/Percepta model for acute oral toxicity on mouse and rat provides LD50 predictions by oral administration route, based on the GALAS methodology. Reliability of predictions is estimated in terms of reliability index (RI), which ranges from 0 to 1 and takes into account the similarity of the Phenyl(pyridin-2-yl)acetonitrile with the training set compounds and the consistency of experimental values for similar compounds.

Key value for chemical safety assessment

Acute toxicity: via oral route

Endpoint conclusion
Endpoint conclusion:
no study available
Quality of whole database:
ACD/Percepta model for acute oral toxicity on mouse and rat provides LD50 predictions by oral administration route, based on the GALAS methodology.

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

For Phenyl(pyridin-2-yl)acetonitrile, ACD/Percepta provided an LD50 prediction on mouse equal to 100 mg/kg, and the prediction was assessed as borderline reliable being the reliability index equal to 0.43.

ACD/Percepta provided an LD50 prediction on rat equal to 580 mg/kg, and the prediction is assessed as borderline reliable being the reliability index equal to 0.47.

ACD/Percepta displays up to 5 most structurally similar structures from the training set along with their experimental test results. The information on the structurally similar compounds in the training set was used to further assess the reliability of the prediction. Five compounds were identified as analogues of Phenyl(pyridin-2-yl)acetonitrile.

In mouse these training compounds exhibit moderate similarity with respect to Phenyl(pyridin-2-yl)acetonitrile (similarity index ranging from 0.79 to 0.86) for rat, meaning that the Phenyl(pyridin-2-yl)acetonitrile compound is moderately represented in the training set of the model, and experimental LD50 values ranging from 28 mg/kg (Butyronitrile)-to 480 mg/kg (Benzeneacetonitrile, 3-benzoyl-alpha-methyl).

In rat, these training compounds exhibit moderate to high similarity with respect to Phenyl(pyridin-2-yl)acetonitrile (similarity index ranging from 0.77 to 0.92), meaning that Phenyl(pyridin-2-yl)acetonitrile is well represented in the training set of the model, and experimental LD50 values ranging from 39 mg/kg (Propionitrile) to 4400 mg/kg (3-Methoxypropionitrile).


Justification for selection of acute toxicity – oral endpoint
QSAR prediction

Justification for classification or non-classification

For Phenyl(pyridin-2-yl)acetonitrile, ACD/Percepta provided an LD50 prediction equal to 580 mg/kg on rat and to 100 mg/kg on mouse. Since the prediction is assessed as borderline reliable, it's not considered useful for classification.