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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Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
1,3,4-Oxadiazole, 2-amino-5-(2-pyridyl)-
CID 21939
2-[5-(4-Fluoro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3161726
2,5-Bis(2-pyridyl)-1,3,4-oxadiazole
CID 98904
2-(1,3,4-Oxadiazol-2-yl)pyridine
CID 268847
2-Methylsulfanyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazole
CID 2746577
Methyl 5-(5-fluoropyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 68319895
2-Phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 4420925
2-(Difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole
CID 126507413

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).