5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C13H6F3N3O2 — CID 63845790

IUPAC5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)c1
InChIInChI=1S/C13H6F3N3O2/c14-9-2-6(3-10(15)11(9)16)12-18-13(21-19-12)7-1-8(20)5-17-4-7/h1-5,20H
InChIKeyXXFYFLFSXHWCNQ-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.92
Rot. Bonds2

About 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 63845790) has the molecular formula C13H6F3N3O2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID63845790
Molecular FormulaC13H6F3N3O2
Molecular Weight293.20 g/mol
Exact Mass293.04
IUPAC Name5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)c1
InChIInChI=1S/C13H6F3N3O2/c14-9-2-6(3-10(15)11(9)16)12-18-13(21-19-12)7-1-8(20)5-17-4-7/h1-5,20H
InChIKeyXXFYFLFSXHWCNQ-UHFFFAOYSA-N
XLogP2.92
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 63845790) is 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cncc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)c1.
What is the InChIKey of 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is XXFYFLFSXHWCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2/c14-9-2-6(3-10(15)11(9)16)12-18-13(21-19-12)7-1-8(20)5-17-4-7/h1-5,20H.
What are the key properties of 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 293.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 63845790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).