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

C11H10F3N3O3 — CID 136842506

IUPAC2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)6-19-5-3-8-16-10(20-17-8)9-7(18)2-1-4-15-9/h1-2,4,18H,3,5-6H2
InChIKeyMBMWRSBQRGHNRJ-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.96
Rot. Bonds5

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

2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 136842506) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID136842506
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)6-19-5-3-8-16-10(20-17-8)9-7(18)2-1-4-15-9/h1-2,4,18H,3,5-6H2
InChIKeyMBMWRSBQRGHNRJ-UHFFFAOYSA-N
XLogP1.96
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 136842506) is 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cccnc1-c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is MBMWRSBQRGHNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)6-19-5-3-8-16-10(20-17-8)9-7(18)2-1-4-15-9/h1-2,4,18H,3,5-6H2.
What are the key properties of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 289.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).