8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H6ClFN4O2 — CID 105393289

About 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 105393289) has the molecular formula C12H6ClFN4O2 and a molecular weight of 292.66 g/mol. Its IUPAC name is 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 105393289
• Molecular Formula: C12H6ClFN4O2
• Molecular Weight: 292.66 g/mol
• Exact Mass: 292.02
• IUPAC Name: 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1cc(Cl)c2nnc(-c3ccc(F)cn3)n2c1
• InChI: InChI=1S/C12H6ClFN4O2/c13-8-3-6(12(19)20)5-18-10(8)16-17-11(18)9-2-1-7(14)4-15-9/h1-5H,(H,19,20)
• InChIKey: SFGWNRDSSQPCJK-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 80.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.66
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The IUPAC name of 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 105393289) is 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The canonical SMILES for 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nnc(-c3ccc(F)cn3)n2c1.

What is the InChIKey of 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The InChIKey is SFGWNRDSSQPCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN4O2/c13-8-3-6(12(19)20)5-18-10(8)16-17-11(18)9-2-1-7(14)4-15-9/h1-5H,(H,19,20).

What are the key properties of 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 292.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 105393289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).