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

C15H10F3N3O2 — CID 82567017

IUPACmethyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C15H10F3N3O2/c1-23-14(22)10-6-4-8-21-13(10)19-12(20-21)9-5-2-3-7-11(9)15(16,17)18/h2-8H,1H3
InChIKeyMIMZMNHPHZYQTK-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.20
Rot. Bonds2

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

methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82567017) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82567017
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Namemethyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C15H10F3N3O2/c1-23-14(22)10-6-4-8-21-13(10)19-12(20-21)9-5-2-3-7-11(9)15(16,17)18/h2-8H,1H3
InChIKeyMIMZMNHPHZYQTK-UHFFFAOYSA-N
XLogP3.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82567017) is methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2nc(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is MIMZMNHPHZYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-23-14(22)10-6-4-8-21-13(10)19-12(20-21)9-5-2-3-7-11(9)15(16,17)18/h2-8H,1H3.
What are the key properties of methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 321.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82567017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).