methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C8H6BrN3O2 — CID 68585795

IUPACmethyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Br)nn12
InChIInChI=1S/C8H6BrN3O2/c1-14-7(13)5-3-2-4-6-10-8(9)11-12(5)6/h2-4H,1H3
InChIKeyYBTXISNQOPMXFF-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.28
Rot. Bonds1

About methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 68585795) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID68585795
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Namemethyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Br)nn12
InChIInChI=1S/C8H6BrN3O2/c1-14-7(13)5-3-2-4-6-10-8(9)11-12(5)6/h2-4H,1H3
InChIKeyYBTXISNQOPMXFF-UHFFFAOYSA-N
XLogP1.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate 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 methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 68585795) is methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(Br)nn12.
What is the InChIKey of methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is YBTXISNQOPMXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-14-7(13)5-3-2-4-6-10-8(9)11-12(5)6/h2-4H,1H3.
What are the key properties of methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 256.06 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 68585795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).