8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C10H6N4O2S — CID 82566551

IUPAC8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cccs3)nc12
InChIInChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H
InChIKeyCAPKLHFYDCLWTL-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.37
Rot. Bonds2

About 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine

8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566551) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566551
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cccs3)nc12
InChIInChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H
InChIKeyCAPKLHFYDCLWTL-UHFFFAOYSA-N
XLogP2.37
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82567026
2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566561
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566580
8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566584
2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566597
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 11830469
3-nitro-2-thiophen-2-ylpyridine
CID 71249233
N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)adamantane-1-carboxamide
CID 110455355
2-nitro-3-thiophen-2-ylimidazo[1,2-a]pyridine
CID 102365056
5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332769
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527381
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006

Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566551) is 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccn2nc(-c3cccs3)nc12.
What is the InChIKey of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CAPKLHFYDCLWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H.
What are the key properties of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).