3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C11H6ClN3O3 — CID 117147652

IUPAC3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)o3)nnc12
InChIInChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)10-14-13-9-6(11(16)17)2-1-5-15(9)10/h1-5H,(H,16,17)
InChIKeyUJSWGOLOMATWQQ-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.34
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147652) has the molecular formula C11H6ClN3O3 and a molecular weight of 263.64 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117147652
Molecular FormulaC11H6ClN3O3
Molecular Weight263.64 g/mol
Exact Mass263.01
IUPAC Name3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)o3)nnc12
InChIInChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)10-14-13-9-6(11(16)17)2-1-5-15(9)10/h1-5H,(H,16,17)
InChIKeyUJSWGOLOMATWQQ-UHFFFAOYSA-N
XLogP2.34
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 117146848
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251172
6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 117127608
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147652) is 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(-c3ccc(Cl)o3)nnc12.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is UJSWGOLOMATWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)10-14-13-9-6(11(16)17)2-1-5-15(9)10/h1-5H,(H,16,17).
What are the key properties of 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 263.64 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).