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

C8H3BrF3N3O — CID 67057532

IUPAC2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H3BrF3N3O/c9-5-1-4(2-13-3-5)6-14-15-7(16-6)8(10,11)12/h1-3H
InChIKeyRJRUESGDCOKLSN-UHFFFAOYSA-N
MW294.03 g/mol
LogP2.91
Rot. Bonds1

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

2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 67057532) has the molecular formula C8H3BrF3N3O and a molecular weight of 294.03 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID67057532
Molecular FormulaC8H3BrF3N3O
Molecular Weight294.03 g/mol
Exact Mass292.94
IUPAC Name2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H3BrF3N3O/c9-5-1-4(2-13-3-5)6-14-15-7(16-6)8(10,11)12/h1-3H
InChIKeyRJRUESGDCOKLSN-UHFFFAOYSA-N
XLogP2.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 67057532) is 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is RJRUESGDCOKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3N3O/c9-5-1-4(2-13-3-5)6-14-15-7(16-6)8(10,11)12/h1-3H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 294.03 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67057532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).