ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C16H12F3N3O2 — CID 58208427

IUPACethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2nc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C16H12F3N3O2/c1-2-24-15(23)12-7-4-8-22-14(12)20-13(21-22)10-5-3-6-11(9-10)16(17,18)19/h3-9H,2H2,1H3
InChIKeyPZXIXBXVAMXSIG-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.59
Rot. Bonds3

About ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 58208427) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID58208427
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2nc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C16H12F3N3O2/c1-2-24-15(23)12-7-4-8-22-14(12)20-13(21-22)10-5-3-6-11(9-10)16(17,18)19/h3-9H,2H2,1H3
InChIKeyPZXIXBXVAMXSIG-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 58208427) is ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2nc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is PZXIXBXVAMXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-2-24-15(23)12-7-4-8-22-14(12)20-13(21-22)10-5-3-6-11(9-10)16(17,18)19/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 335.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 58208427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).