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Structure

2-Pyridineacetonitrile,5-(trifluoromethyl)-

CAS
939793-18-7
Catalog Number
ACM939793187
Category
Other Products
Molecular Formula
C8H5F3N2

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What is the molecular formula of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The molecular formula is C8H5F3N2.

When was 2-Pyridineacetonitrile, 5-(trifluoromethyl) created and last modified in PubChem?

It was created on May 27, 2009, and last modified on December 30, 2023.

What is the IUPAC Name of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The IUPAC Name is 2-[5-(trifluoromethyl)pyridin-2-yl]acetonitrile.

What is the InChIKey of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The InChIKey is GTMNJBOEUBLOPE-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does 2-Pyridineacetonitrile, 5-(trifluoromethyl) have?

It has 5 hydrogen bond acceptor counts.

What is the molecular weight of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The molecular weight is 186.13 g/mol.

What is the topological polar surface area of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The topological polar surface area is 36.7 Å2.

How many rotatable bond counts does 2-Pyridineacetonitrile, 5-(trifluoromethyl) have?

It has 1 rotatable bond count.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of 2-Pyridineacetonitrile, 5-(trifluoromethyl)?

The XLogP3-AA value is 1.4.

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