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

C13H7ClF3N3 — CID 117147104

IUPAC8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(-c2nnc3c(Cl)cccn23)c1
InChIInChI=1S/C13H7ClF3N3/c14-10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(7-8)13(15,16)17/h1-7H
InChIKeyFFHDULLKXPPTPH-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.07
Rot. Bonds1

About 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117147104) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117147104
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(-c2nnc3c(Cl)cccn23)c1
InChIInChI=1S/C13H7ClF3N3/c14-10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(7-8)13(15,16)17/h1-7H
InChIKeyFFHDULLKXPPTPH-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

Analyze 8-chloro-3-[3-(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

6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
1-chloro-8-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252517
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39834346
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117147104) is 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cccc(-c2nnc3c(Cl)cccn23)c1.
What is the InChIKey of 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FFHDULLKXPPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(7-8)13(15,16)17/h1-7H.
What are the key properties of 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[3-(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 8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).