3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one

C13H6ClF2N3O2 — CID 23042094

IUPAC3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ncccc1Cl
InChIInChI=1S/C13H6ClF2N3O2/c14-7-3-2-6-17-11(7)19-13(20)21-12(18-19)10-8(15)4-1-5-9(10)16/h1-6H
InChIKeyVVAWRSGSGMNOEO-UHFFFAOYSA-N
MW309.66 g/mol
LogP2.82
Rot. Bonds2

About 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one

3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042094) has the molecular formula C13H6ClF2N3O2 and a molecular weight of 309.66 g/mol. Its IUPAC name is 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042094
Molecular FormulaC13H6ClF2N3O2
Molecular Weight309.66 g/mol
Exact Mass309.01
IUPAC Name3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ncccc1Cl
InChIInChI=1S/C13H6ClF2N3O2/c14-7-3-2-6-17-11(7)19-13(20)21-12(18-19)10-8(15)4-1-5-9(10)16/h1-6H
InChIKeyVVAWRSGSGMNOEO-UHFFFAOYSA-N
XLogP2.82
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one (CID 23042094) is 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2c(F)cccc2F)nn1-c1ncccc1Cl.
What is the InChIKey of 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is VVAWRSGSGMNOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N3O2/c14-7-3-2-6-17-11(7)19-13(20)21-12(18-19)10-8(15)4-1-5-9(10)16/h1-6H.
What are the key properties of 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 309.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).