5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H7ClF3N3 — CID 705690

IUPAC5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H7ClF3N3/c14-10-2-1-3-11-18-19-12(20(10)11)8-4-6-9(7-5-8)13(15,16)17/h1-7H
InChIKeyRECFHJGRGFHIKB-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.07
Rot. Bonds1

About 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 705690) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID705690
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H7ClF3N3/c14-10-2-1-3-11-18-19-12(20(10)11)8-4-6-9(7-5-8)13(15,16)17/h1-7H
InChIKeyRECFHJGRGFHIKB-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3-[4-(trifluoromethyl)phenyl]-[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

Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
5-Chloro-3-(3-nitrophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 623626
6-Chloro-3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 1136914
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
7-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3152515
6-Chloro-3-(2,6-dichloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 706624
3-(4-Chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2916290
3-Methyl-6-(m-chlorophenyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 12726827
3-(Trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 87178572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 705690) is 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(-c2nnc3cccc(Cl)n23)cc1.
What is the InChIKey of 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RECFHJGRGFHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-10-2-1-3-11-18-19-12(20(10)11)8-4-6-9(7-5-8)13(15,16)17/h1-7H.
What are the key properties of 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 297.67 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 705690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).