6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H3BrFN3O — CID 118417872

IUPAC6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(F)cc(Br)cn12
InChIInChI=1S/C6H3BrFN3O/c7-3-1-4(8)5-9-10-6(12)11(5)2-3/h1-2H,(H,10,12)
InChIKeyHVRLPPAOIHWCJP-UHFFFAOYSA-N
MW232.01 g/mol
LogP0.92
Rot. Bonds

About 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 118417872) has the molecular formula C6H3BrFN3O and a molecular weight of 232.01 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID118417872
Molecular FormulaC6H3BrFN3O
Molecular Weight232.01 g/mol
Exact Mass230.94
IUPAC Name6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(F)cc(Br)cn12
InChIInChI=1S/C6H3BrFN3O/c7-3-1-4(8)5-9-10-6(12)11(5)2-3/h1-2H,(H,10,12)
InChIKeyHVRLPPAOIHWCJP-UHFFFAOYSA-N
XLogP0.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.01
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one 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-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 118417872) is 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2c(F)cc(Br)cn12.
What is the InChIKey of 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HVRLPPAOIHWCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFN3O/c7-3-1-4(8)5-9-10-6(12)11(5)2-3/h1-2H,(H,10,12).
What are the key properties of 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 232.01 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 118417872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).