3-Chloroimidazo[1,2-a]pyridine-6-carbonitrile

• Catalog Number: ACMA00000609
• Category: Alkenyl
• Molecular Weight: 177.59
• Hazard Statements: H226-H315-H319-H335
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H4ClN3.

What is the molecular weight of the compound?

The molecular weight of the compound is 177.59 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-chloroimidazo[1,2-a]pyridine-6-carbonitrile.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H4ClN3/c9-7-4-11-8-2-1-6(3-10)5-12(7)8/h1-2,4-5H.

What is the InChIKey of the compound?

The InChIKey of the compound is QVSGGRSCUMTHBD-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC2=NC=C(N2C=C1C#N)Cl.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.4.

How many hydrogen bond donor and acceptor counts does the compound have?

The compound has 0 hydrogen bond donor count and 2 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 0 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 41.1Ų.