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

C13H8FN3O3 — CID 136789864

IUPAC3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3c(O)cccc3F)n2c1
InChIInChI=1S/C13H8FN3O3/c14-8-2-1-3-9(18)11(8)12-16-15-10-5-4-7(13(19)20)6-17(10)12/h1-6,18H,(H,19,20)
InChIKeyRBXMMNVGCAKLPL-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.94
Rot. Bonds2

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

3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 136789864) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID136789864
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3c(O)cccc3F)n2c1
InChIInChI=1S/C13H8FN3O3/c14-8-2-1-3-9(18)11(8)12-16-15-10-5-4-7(13(19)20)6-17(10)12/h1-6,18H,(H,19,20)
InChIKeyRBXMMNVGCAKLPL-UHFFFAOYSA-N
XLogP1.94
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 136789864) is 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(-c3c(O)cccc3F)n2c1.
What is the InChIKey of 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is RBXMMNVGCAKLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-8-2-1-3-9(18)11(8)12-16-15-10-5-4-7(13(19)20)6-17(10)12/h1-6,18H,(H,19,20).
What are the key properties of 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 273.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 136789864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).