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

C14H8F5N3O — CID 66849571

IUPAC6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H8F5N3O/c15-13(16)23-10-4-1-8(2-5-10)9-3-6-11-20-21-12(14(17,18)19)22(11)7-9/h1-7,13H
InChIKeyLNJRDFHCHGQUJZ-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.02
Rot. Bonds3

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

6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66849571) has the molecular formula C14H8F5N3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66849571
Molecular FormulaC14H8F5N3O
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H8F5N3O/c15-13(16)23-10-4-1-8(2-5-10)9-3-6-11-20-21-12(14(17,18)19)22(11)7-9/h1-7,13H
InChIKeyLNJRDFHCHGQUJZ-UHFFFAOYSA-N
XLogP4.02
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-(difluoromethoxy)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-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66849571) is 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LNJRDFHCHGQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O/c15-13(16)23-10-4-1-8(2-5-10)9-3-6-11-20-21-12(14(17,18)19)22(11)7-9/h1-7,13H.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 329.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66849571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).