ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate

C11H9ClF3N3O2 — CID 79471481

About ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate

ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate (PubChem CID 79471481) has the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol. Its IUPAC name is ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
• PubChem CID: 79471481
• Molecular Formula: C11H9ClF3N3O2
• Molecular Weight: 307.66 g/mol
• Exact Mass: 307.03
• IUPAC Name: ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
• SMILES: CCOC(=O)Cc1nnc2c(Cl)cc(C(F)(F)F)cn12
• InChI: InChI=1S/C11H9ClF3N3O2/c1-2-20-9(19)4-8-16-17-10-7(12)3-6(5-18(8)10)11(13,14)15/h3,5H,2,4H2,1H3
• InChIKey: UXDCGHLSLFNXGL-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.66
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?

The IUPAC name of ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate (CID 79471481) is ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate.

What is the SMILES notation for ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?

The canonical SMILES for ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate is CCOC(=O)Cc1nnc2c(Cl)cc(C(F)(F)F)cn12.

What is the InChIKey of ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?

The InChIKey is UXDCGHLSLFNXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2/c1-2-20-9(19)4-8-16-17-10-7(12)3-6(5-18(8)10)11(13,14)15/h3,5H,2,4H2,1H3.

What are the key properties of ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?

ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate has a molecular weight of 307.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate is sourced from PubChem (CID 79471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).