2-[1-(trifluoromethyl)triazol-4-yl]pyridine

C8H5F3N4 — CID 67428287

IUPAC2-[1-(trifluoromethyl)triazol-4-yl]pyridine
SMILESFC(F)(F)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-3-1-2-4-12-6/h1-5H
InChIKeyGJWFUDMQGSFIHE-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.82
Rot. Bonds1

About 2-[1-(trifluoromethyl)triazol-4-yl]pyridine

2-[1-(trifluoromethyl)triazol-4-yl]pyridine (PubChem CID 67428287) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)triazol-4-yl]pyridine
PubChem CID67428287
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-[1-(trifluoromethyl)triazol-4-yl]pyridine
SMILESFC(F)(F)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-3-1-2-4-12-6/h1-5H
InChIKeyGJWFUDMQGSFIHE-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(trifluoromethyl)triazol-4-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(trifluoromethyl)triazol-4-yl]pyridine
CID 171362995
CID 154704206
CID 154704206
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
2-pyridin-2-ylpyridine tetrafluoroborate
CID 87562817
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The IUPAC name of 2-[1-(trifluoromethyl)triazol-4-yl]pyridine (CID 67428287) is 2-[1-(trifluoromethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(trifluoromethyl)triazol-4-yl]pyridine is FC(F)(F)n1cc(-c2ccccn2)nn1.
What is the InChIKey of 2-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The InChIKey is GJWFUDMQGSFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-3-1-2-4-12-6/h1-5H.
What are the key properties of 2-[1-(trifluoromethyl)triazol-4-yl]pyridine?
2-[1-(trifluoromethyl)triazol-4-yl]pyridine has a molecular weight of 214.15 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 67428287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).