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

C9H10BrN3O — CID 117141228

IUPAC5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCCc1nnc2cccc(Br)n12
InChIInChI=1S/C9H10BrN3O/c1-14-6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6H2,1H3
InChIKeyMLTFMPMFMWKNBY-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.68
Rot. Bonds3

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

5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141228) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141228
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCCc1nnc2cccc(Br)n12
InChIInChI=1S/C9H10BrN3O/c1-14-6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6H2,1H3
InChIKeyMLTFMPMFMWKNBY-UHFFFAOYSA-N
XLogP1.68
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117141228) is 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine is COCCc1nnc2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MLTFMPMFMWKNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-14-6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 256.10 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).