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

C7H3BrF3N3 — CID 58118906

IUPAC6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKeySYYNJBWDDYHXEY-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.51
Rot. Bonds

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

6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118906) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118906
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKeySYYNJBWDDYHXEY-UHFFFAOYSA-N
XLogP2.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-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-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 58118906) is 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SYYNJBWDDYHXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H.
What are the key properties of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 266.02 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).