4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C8H4F3N3O2 — CID 146309694

IUPAC4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)(F)F)o2)cc[nH]1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h1-3H,(H,12,15)
InChIKeyGOKRQQHDBFDNSC-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.44
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 146309694) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID146309694
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)(F)F)o2)cc[nH]1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h1-3H,(H,12,15)
InChIKeyGOKRQQHDBFDNSC-UHFFFAOYSA-N
XLogP1.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 146309694) is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is O=c1cc(-c2nnc(C(F)(F)F)o2)cc[nH]1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is GOKRQQHDBFDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h1-3H,(H,12,15).
What are the key properties of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 231.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146309694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).