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

C7H3BrF3N3 — CID 87206967

IUPAC5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2cccc(Br)n12
InChIInChI=1S/C7H3BrF3N3/c8-4-2-1-3-5-12-13-6(14(4)5)7(9,10)11/h1-3H
InChIKeyJRMANKMRAJNEAL-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.51
Rot. Bonds

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

5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 87206967) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID87206967
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2cccc(Br)n12
InChIInChI=1S/C7H3BrF3N3/c8-4-2-1-3-5-12-13-6(14(4)5)7(9,10)11/h1-3H
InChIKeyJRMANKMRAJNEAL-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

Computed Properties (RDKit)

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

Analyze 5-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 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 87206967) is 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JRMANKMRAJNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-4-2-1-3-5-12-13-6(14(4)5)7(9,10)11/h1-3H.
What are the key properties of 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-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 5-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 87206967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).