2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine

C10H5BrClN3O — CID 117132460

IUPAC2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C10H5BrClN3O/c11-7-5-4-6(16-7)10-13-9-3-1-2-8(12)15(9)14-10/h1-5H
InChIKeyZBLLMHSIKIZXMP-UHFFFAOYSA-N
MW298.53 g/mol
LogP3.41
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine

2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132460) has the molecular formula C10H5BrClN3O and a molecular weight of 298.53 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132460
Molecular FormulaC10H5BrClN3O
Molecular Weight298.53 g/mol
Exact Mass296.93
IUPAC Name2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C10H5BrClN3O/c11-7-5-4-6(16-7)10-13-9-3-1-2-8(12)15(9)14-10/h1-5H
InChIKeyZBLLMHSIKIZXMP-UHFFFAOYSA-N
XLogP3.41
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.41
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 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 117132460) is 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZBLLMHSIKIZXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O/c11-7-5-4-6(16-7)10-13-9-3-1-2-8(12)15(9)14-10/h1-5H.
What are the key properties of 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 298.53 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).