4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole

C8H4F3N3O — CID 56991896

IUPAC4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole
SMILESFC(F)(F)c1ccncc1-c1conn1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-1-2-12-3-5(6)7-4-15-14-13-7/h1-4H
InChIKeyBJOZANAEPXXZLG-UHFFFAOYSA-N
MW215.13 g/mol
LogP2.15
Rot. Bonds1

About 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole

4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole (PubChem CID 56991896) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole
PubChem CID56991896
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC Name4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole
SMILESFC(F)(F)c1ccncc1-c1conn1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-1-2-12-3-5(6)7-4-15-14-13-7/h1-4H
InChIKeyBJOZANAEPXXZLG-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 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole?
The IUPAC name of 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole (CID 56991896) is 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole?
The canonical SMILES for 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole is FC(F)(F)c1ccncc1-c1conn1.
What is the InChIKey of 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole?
The InChIKey is BJOZANAEPXXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)6-1-2-12-3-5(6)7-4-15-14-13-7/h1-4H.
What are the key properties of 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole?
4-[4-(trifluoromethyl)-3-pyridinyl]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 4-[4-(trifluoromethyl)-3-pyridinyl]oxadiazole is sourced from PubChem (CID 56991896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).