2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C11H6BrN3OS — CID 117137079

IUPAC2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C11H6BrN3OS/c12-9-4-3-8(17-9)10-13-11-7(6-16)2-1-5-15(11)14-10/h1-6H
InChIKeyNCXKYMSYOXHLGI-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.03
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117137079) has the molecular formula C11H6BrN3OS and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117137079
Molecular FormulaC11H6BrN3OS
Molecular Weight308.16 g/mol
Exact Mass306.94
IUPAC Name2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C11H6BrN3OS/c12-9-4-3-8(17-9)10-13-11-7(6-16)2-1-5-15(11)14-10/h1-6H
InChIKeyNCXKYMSYOXHLGI-UHFFFAOYSA-N
XLogP3.03
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117137079) is 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(-c3ccc(Br)s3)nc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is NCXKYMSYOXHLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3OS/c12-9-4-3-8(17-9)10-13-11-7(6-16)2-1-5-15(11)14-10/h1-6H.
What are the key properties of 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 308.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117137079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).