2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol

C13H6F3N3O2 — CID 86621256

IUPAC2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1c(F)c(F)cc(-c2nc(-c3cccnc3)no2)c1F
InChIInChI=1S/C13H6F3N3O2/c14-8-4-7(9(15)11(20)10(8)16)13-18-12(19-21-13)6-2-1-3-17-5-6/h1-5,20H
InChIKeyGVSGKSGAQBUPMD-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.92
Rot. Bonds2

About 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol

2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 86621256) has the molecular formula C13H6F3N3O2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID86621256
Molecular FormulaC13H6F3N3O2
Molecular Weight293.20 g/mol
Exact Mass293.04
IUPAC Name2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1c(F)c(F)cc(-c2nc(-c3cccnc3)no2)c1F
InChIInChI=1S/C13H6F3N3O2/c14-8-4-7(9(15)11(20)10(8)16)13-18-12(19-21-13)6-2-1-3-17-5-6/h1-5,20H
InChIKeyGVSGKSGAQBUPMD-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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 86621256) is 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1c(F)c(F)cc(-c2nc(-c3cccnc3)no2)c1F.
What is the InChIKey of 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is GVSGKSGAQBUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2/c14-8-4-7(9(15)11(20)10(8)16)13-18-12(19-21-13)6-2-1-3-17-5-6/h1-5,20H.
What are the key properties of 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol 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 2,3,6-trifluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 86621256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).