3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C14H10FN3O2 — CID 117147696

About 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147696) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
• PubChem CID: 117147696
• Molecular Formula: C14H10FN3O2
• Molecular Weight: 271.25 g/mol
• Exact Mass: 271.08
• IUPAC Name: 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
• SMILES: O=C(O)c1cccn2c(Cc3ccccc3F)nnc12
• InChI: InChI=1S/C14H10FN3O2/c15-11-6-2-1-4-9(11)8-12-16-17-13-10(14(19)20)5-3-7-18(12)13/h1-7H,8H2,(H,19,20)
• InChIKey: HSPWEDQCAWNTAT-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.25
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?

The IUPAC name of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147696) is 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?

The canonical SMILES for 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(Cc3ccccc3F)nnc12.

What is the InChIKey of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?

The InChIKey is HSPWEDQCAWNTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-6-2-1-4-9(11)8-12-16-17-13-10(14(19)20)5-3-7-18(12)13/h1-7H,8H2,(H,19,20).

What are the key properties of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).