2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C13H9ClN4O2 — CID 82556787

IUPAC2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccccc3Cl)cn2n1
InChIInChI=1S/C13H9ClN4O2/c14-10-4-2-1-3-7(10)9-6-18-11(16-13(15)17-18)5-8(9)12(19)20/h1-6H,(H2,15,17)(H,19,20)
InChIKeyKCKVJTKRGUXFHH-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.33
Rot. Bonds2

About 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82556787) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82556787
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccccc3Cl)cn2n1
InChIInChI=1S/C13H9ClN4O2/c14-10-4-2-1-3-7(10)9-6-18-11(16-13(15)17-18)5-8(9)12(19)20/h1-6H,(H2,15,17)(H,19,20)
InChIKeyKCKVJTKRGUXFHH-UHFFFAOYSA-N
XLogP2.33
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82556787) is 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2cc(C(=O)O)c(-c3ccccc3Cl)cn2n1.
What is the InChIKey of 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is KCKVJTKRGUXFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-10-4-2-1-3-7(10)9-6-18-11(16-13(15)17-18)5-8(9)12(19)20/h1-6H,(H2,15,17)(H,19,20).
What are the key properties of 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82556787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).