6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H6F7N3O — CID 86650229

IUPAC6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3c2)ccc1OC(F)(F)F
InChIInChI=1S/C14H6F7N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H
InChIKeyHQTXRECFCOCNFF-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.45
Rot. Bonds2

About 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86650229) has the molecular formula C14H6F7N3O and a molecular weight of 365.21 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86650229
Molecular FormulaC14H6F7N3O
Molecular Weight365.21 g/mol
Exact Mass365.04
IUPAC Name6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3c2)ccc1OC(F)(F)F
InChIInChI=1S/C14H6F7N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H
InChIKeyHQTXRECFCOCNFF-UHFFFAOYSA-N
XLogP4.45
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 86650229) is 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1cc(-c2ccc3nnc(C(F)(F)F)n3c2)ccc1OC(F)(F)F.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HQTXRECFCOCNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F7N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H.
What are the key properties of 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 365.21 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).