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

C13H6ClF4N3 — CID 683376

IUPAC3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C13H6ClF4N3/c14-8-2-1-3-9(15)11(8)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H
InChIKeyHBDIJLRIZVJIHV-UHFFFAOYSA-N
MW315.66 g/mol
LogP4.21
Rot. Bonds1

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

3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 683376) has the molecular formula C13H6ClF4N3 and a molecular weight of 315.66 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID683376
Molecular FormulaC13H6ClF4N3
Molecular Weight315.66 g/mol
Exact Mass315.02
IUPAC Name3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C13H6ClF4N3/c14-8-2-1-3-9(15)11(8)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H
InChIKeyHBDIJLRIZVJIHV-UHFFFAOYSA-N
XLogP4.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 683376) is 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HBDIJLRIZVJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4N3/c14-8-2-1-3-9(15)11(8)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-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 315.66 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 683376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).