2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

C8H4F3N3O — CID 171373550

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnco2)nc1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)5-1-2-6(12-3-5)7-14-13-4-15-7/h1-4H
InChIKeyLEWBVUBSAQBIOR-UHFFFAOYSA-N
MW215.13 g/mol
LogP2.15
Rot. Bonds1

About 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 171373550) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID171373550
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnco2)nc1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)5-1-2-6(12-3-5)7-14-13-4-15-7/h1-4H
InChIKeyLEWBVUBSAQBIOR-UHFFFAOYSA-N
XLogP2.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (CID 171373550) is 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnco2)nc1.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is LEWBVUBSAQBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)5-1-2-6(12-3-5)7-14-13-4-15-7/h1-4H.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 215.13 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171373550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).