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

C18H11ClN4O2 — CID 82565629

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

2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565629) has the molecular formula C18H11ClN4O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
• PubChem CID: 82565629
• Molecular Formula: C18H11ClN4O2
• Molecular Weight: 350.77 g/mol
• Exact Mass: 350.06
• IUPAC Name: 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
• SMILES: O=C(O)c1ccc(-c2ccncc2)n2nc(-c3cccc(Cl)c3)nc12
• InChI: InChI=1S/C18H11ClN4O2/c19-13-3-1-2-12(10-13)16-21-17-14(18(24)25)4-5-15(23(17)22-16)11-6-8-20-9-7-11/h1-10H,(H,24,25)
• InChIKey: LVARIPFESNWOOL-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 80.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.77
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?

The IUPAC name of 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565629) is 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?

The canonical SMILES for 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1ccc(-c2ccncc2)n2nc(-c3cccc(Cl)c3)nc12.

What is the InChIKey of 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?

The InChIKey is LVARIPFESNWOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2/c19-13-3-1-2-12(10-13)16-21-17-14(18(24)25)4-5-15(23(17)22-16)11-6-8-20-9-7-11/h1-10H,(H,24,25).

What are the key properties of 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?

2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 350.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).