3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one

C13H7F2N3O2 — CID 615858

IUPAC3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1cccnc1
InChIInChI=1S/C13H7F2N3O2/c14-9-4-1-5-10(15)11(9)12-17-20-13(19)18(12)8-3-2-6-16-7-8/h1-7H
InChIKeyLWKGPMWXTPCJOL-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one

3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one (PubChem CID 615858) has the molecular formula C13H7F2N3O2 and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one
PubChem CID615858
Molecular FormulaC13H7F2N3O2
Molecular Weight275.21 g/mol
Exact Mass275.05
IUPAC Name3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1cccnc1
InChIInChI=1S/C13H7F2N3O2/c14-9-4-1-5-10(15)11(9)12-17-20-13(19)18(12)8-3-2-6-16-7-8/h1-7H
InChIKeyLWKGPMWXTPCJOL-UHFFFAOYSA-N
XLogP2.17
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one (CID 615858) is 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2c(F)cccc2F)n1-c1cccnc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The InChIKey is LWKGPMWXTPCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O2/c14-9-4-1-5-10(15)11(9)12-17-20-13(19)18(12)8-3-2-6-16-7-8/h1-7H.
What are the key properties of 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one?
3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one has a molecular weight of 275.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-pyridin-3-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 615858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).