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

C8H3BrF3N3O — CID 114909265

IUPAC3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(Br)no2)nc1
InChIInChI=1S/C8H3BrF3N3O/c9-7-14-6(16-15-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H
InChIKeyQDONGXVTHTYHPJ-UHFFFAOYSA-N
MW294.03 g/mol
LogP2.91
Rot. Bonds1

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

3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 114909265) has the molecular formula C8H3BrF3N3O and a molecular weight of 294.03 g/mol. Its IUPAC name is 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID114909265
Molecular FormulaC8H3BrF3N3O
Molecular Weight294.03 g/mol
Exact Mass292.94
IUPAC Name3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(Br)no2)nc1
InChIInChI=1S/C8H3BrF3N3O/c9-7-14-6(16-15-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H
InChIKeyQDONGXVTHTYHPJ-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 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 114909265) is 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2nc(Br)no2)nc1.
What is the InChIKey of 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is QDONGXVTHTYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3N3O/c9-7-14-6(16-15-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H.
What are the key properties of 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-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 3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 114909265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).