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

C11H6ClN3O3 — CID 117137147

IUPAC2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccc(Cl)o3)nc12
InChIInChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)9-13-10-6(11(16)17)2-1-5-15(10)14-9/h1-5H,(H,16,17)
InChIKeyHNIUXATWISAWTH-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.34
Rot. Bonds2

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

2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117137147) has the molecular formula C11H6ClN3O3 and a molecular weight of 263.64 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117137147
Molecular FormulaC11H6ClN3O3
Molecular Weight263.64 g/mol
Exact Mass263.01
IUPAC Name2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccc(Cl)o3)nc12
InChIInChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)9-13-10-6(11(16)17)2-1-5-15(10)14-9/h1-5H,(H,16,17)
InChIKeyHNIUXATWISAWTH-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

2-(5-chlorofuran-2-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137110
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 117127608
2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
CID 143902918
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566740

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117137147) is 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2nc(-c3ccc(Cl)o3)nc12.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is HNIUXATWISAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3/c12-8-4-3-7(18-8)9-13-10-6(11(16)17)2-1-5-15(10)14-9/h1-5H,(H,16,17).
What are the key properties of 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-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 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117137147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).