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

C14H11N3O4 — CID 117257215

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

3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 117257215) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 117257215
• Molecular Formula: C14H11N3O4
• Molecular Weight: 285.26 g/mol
• Exact Mass: 285.07
• IUPAC Name: 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nnc(COc3ccc(O)cc3)n2c1
• InChI: InChI=1S/C14H11N3O4/c18-10-2-4-11(5-3-10)21-8-13-16-15-12-6-1-9(14(19)20)7-17(12)13/h1-7,18H,8H2,(H,19,20)
• InChIKey: PLTZEGSCHGFZFK-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 96.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.26
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 117257215) is 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

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

The canonical SMILES for 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(COc3ccc(O)cc3)n2c1.

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

The InChIKey is PLTZEGSCHGFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-10-2-4-11(5-3-10)21-8-13-16-15-12-6-1-9(14(19)20)7-17(12)13/h1-7,18H,8H2,(H,19,20).

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

3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117257215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).