3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H10FN3O2 — CID 62389506

About 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62389506) 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-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 62389506
• 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-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nnc(Cc3ccccc3F)n2c1
• InChI: InChI=1S/C14H10FN3O2/c15-11-4-2-1-3-9(11)7-13-17-16-12-6-5-10(14(19)20)8-18(12)13/h1-6,8H,7H2,(H,19,20)
• InChIKey: XADHAJWVTBXSMT-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-6-carboxylic acid?

The IUPAC name of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62389506) is 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The canonical SMILES for 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(Cc3ccccc3F)n2c1.

What is the InChIKey of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

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

What are the key properties of 3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-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-6-carboxylic acid is sourced from PubChem (CID 62389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).