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

C13H6Cl2F3N3 — CID 699185

IUPAC3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(-c3cccc(Cl)c3Cl)n2c1
InChIInChI=1S/C13H6Cl2F3N3/c14-9-3-1-2-8(11(9)15)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H
InChIKeyMFIXNLIAXWEBMU-UHFFFAOYSA-N
MW332.11 g/mol
LogP4.72
Rot. Bonds1

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

3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 699185) has the molecular formula C13H6Cl2F3N3 and a molecular weight of 332.11 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID699185
Molecular FormulaC13H6Cl2F3N3
Molecular Weight332.11 g/mol
Exact Mass330.99
IUPAC Name3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(-c3cccc(Cl)c3Cl)n2c1
InChIInChI=1S/C13H6Cl2F3N3/c14-9-3-1-2-8(11(9)15)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H
InChIKeyMFIXNLIAXWEBMU-UHFFFAOYSA-N
XLogP4.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-6-(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 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 699185) is 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc2nnc(-c3cccc(Cl)c3Cl)n2c1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MFIXNLIAXWEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3N3/c14-9-3-1-2-8(11(9)15)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H.
What are the key properties of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 332.11 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 699185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).