2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C12H9N3O2S — CID 82565677

IUPAC2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)ccc(-c3cccs3)n2n1
InChIInChI=1S/C12H9N3O2S/c1-7-13-11-8(12(16)17)4-5-9(15(11)14-7)10-3-2-6-18-10/h2-6H,1H3,(H,16,17)
InChIKeyLCODTCXFELHCLA-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565677) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565677
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)ccc(-c3cccs3)n2n1
InChIInChI=1S/C12H9N3O2S/c1-7-13-11-8(12(16)17)4-5-9(15(11)14-7)10-3-2-6-18-10/h2-6H,1H3,(H,16,17)
InChIKeyLCODTCXFELHCLA-UHFFFAOYSA-N
XLogP2.46
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565686
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565529
2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559743
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
2-methyl-4-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 151454780
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 141450191
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565677) is 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1nc2c(C(=O)O)ccc(-c3cccs3)n2n1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is LCODTCXFELHCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-7-13-11-8(12(16)17)4-5-9(15(11)14-7)10-3-2-6-18-10/h2-6H,1H3,(H,16,17).
What are the key properties of 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).