2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C14H10FN3O3 — CID 117257810

About 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117257810) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• PubChem CID: 117257810
• Molecular Formula: C14H10FN3O3
• Molecular Weight: 287.25 g/mol
• Exact Mass: 287.07
• IUPAC Name: 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nc(COc3ccc(F)cc3)nn2c1
• InChI: InChI=1S/C14H10FN3O3/c15-10-2-4-11(5-3-10)21-8-12-16-13-6-1-9(14(19)20)7-18(13)17-12/h1-7H,8H2,(H,19,20)
• InChIKey: GPJBGIQYJJQZQC-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.25
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The IUPAC name of 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 117257810) is 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(COc3ccc(F)cc3)nn2c1.

What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

The InChIKey is GPJBGIQYJJQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-10-2-4-11(5-3-10)21-8-12-16-13-6-1-9(14(19)20)7-18(13)17-12/h1-7H,8H2,(H,19,20).

What are the key properties of 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?

2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117257810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).