3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine

C10H5BrClN3S — CID 117141891

IUPAC3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc2nnc(-c3ccc(Br)s3)n12
InChIInChI=1S/C10H5BrClN3S/c11-7-5-4-6(16-7)10-14-13-9-3-1-2-8(12)15(9)10/h1-5H
InChIKeyMJKZSXQJMVFOOJ-UHFFFAOYSA-N
MW314.60 g/mol
LogP3.87
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine

3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141891) has the molecular formula C10H5BrClN3S and a molecular weight of 314.60 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141891
Molecular FormulaC10H5BrClN3S
Molecular Weight314.60 g/mol
Exact Mass312.91
IUPAC Name3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc2nnc(-c3ccc(Br)s3)n12
InChIInChI=1S/C10H5BrClN3S/c11-7-5-4-6(16-7)10-14-13-9-3-1-2-8(12)15(9)10/h1-5H
InChIKeyMJKZSXQJMVFOOJ-UHFFFAOYSA-N
XLogP3.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 53.87
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 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine (CID 117141891) is 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc2nnc(-c3ccc(Br)s3)n12.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MJKZSXQJMVFOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3S/c11-7-5-4-6(16-7)10-14-13-9-3-1-2-8(12)15(9)10/h1-5H.
What are the key properties of 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 314.60 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-5-chloro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).