6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H10FN3O2S — CID 141282721

IUPAC6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(F)cn3ncnc23)cc1
InChIInChI=1S/C13H10FN3O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(14)7-17-13(12)15-8-16-17/h2-8H,1H3
InChIKeyODXNJJWCGMTXEC-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.94
Rot. Bonds2

About 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 141282721) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID141282721
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(F)cn3ncnc23)cc1
InChIInChI=1S/C13H10FN3O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(14)7-17-13(12)15-8-16-17/h2-8H,1H3
InChIKeyODXNJJWCGMTXEC-UHFFFAOYSA-N
XLogP1.94
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 141282721) is 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2cc(F)cn3ncnc23)cc1.
What is the InChIKey of 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ODXNJJWCGMTXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(14)7-17-13(12)15-8-16-17/h2-8H,1H3.
What are the key properties of 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 291.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 141282721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).