2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine

C8H5BrF3N3O — CID 118993414

IUPAC2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)COc1cccn2nc(Br)nc12
InChIInChI=1S/C8H5BrF3N3O/c9-7-13-6-5(16-4-8(10,11)12)2-1-3-15(6)14-7/h1-3H,4H2
InChIKeySVYZUHSGVZDUDT-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.43
Rot. Bonds2

About 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118993414) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118993414
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)COc1cccn2nc(Br)nc12
InChIInChI=1S/C8H5BrF3N3O/c9-7-13-6-5(16-4-8(10,11)12)2-1-3-15(6)14-7/h1-3H,4H2
InChIKeySVYZUHSGVZDUDT-UHFFFAOYSA-N
XLogP2.43
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 118993414) is 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)COc1cccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SVYZUHSGVZDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-7-13-6-5(16-4-8(10,11)12)2-1-3-15(6)14-7/h1-3H,4H2.
What are the key properties of 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 296.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118993414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).