2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

C13H7F2N3O2 — CID 86648361

IUPAC2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)Oc2cccc(-c3nc4ccccn4n3)c2O1
InChIInChI=1S/C13H7F2N3O2/c14-13(15)19-9-5-3-4-8(11(9)20-13)12-16-10-6-1-2-7-18(10)17-12/h1-7H
InChIKeyNNEJHEIFNYKJST-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.72
Rot. Bonds1

About 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 86648361) has the molecular formula C13H7F2N3O2 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID86648361
Molecular FormulaC13H7F2N3O2
Molecular Weight275.21 g/mol
Exact Mass275.05
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)Oc2cccc(-c3nc4ccccn4n3)c2O1
InChIInChI=1S/C13H7F2N3O2/c14-13(15)19-9-5-3-4-8(11(9)20-13)12-16-10-6-1-2-7-18(10)17-12/h1-7H
InChIKeyNNEJHEIFNYKJST-UHFFFAOYSA-N
XLogP2.72
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 86648361) is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is FC1(F)Oc2cccc(-c3nc4ccccn4n3)c2O1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NNEJHEIFNYKJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O2/c14-13(15)19-9-5-3-4-8(11(9)20-13)12-16-10-6-1-2-7-18(10)17-12/h1-7H.
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 275.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 86648361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).