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

C8H3BrF3N3O — CID 114909560

IUPAC2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(Br)o2)nc1
InChIInChI=1S/C8H3BrF3N3O/c9-7-15-14-6(16-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H
InChIKeyXUEJTNYJNPAKQX-UHFFFAOYSA-N
MW294.03 g/mol
LogP2.91
Rot. Bonds1

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

2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 114909560) has the molecular formula C8H3BrF3N3O and a molecular weight of 294.03 g/mol. Its IUPAC name is 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID114909560
Molecular FormulaC8H3BrF3N3O
Molecular Weight294.03 g/mol
Exact Mass292.94
IUPAC Name2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(Br)o2)nc1
InChIInChI=1S/C8H3BrF3N3O/c9-7-15-14-6(16-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H
InChIKeyXUEJTNYJNPAKQX-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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Related Compounds

3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 114909265
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 171373550
N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114909302
1-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2746579
1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2746578
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
CID 121289152
4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 114909551
N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2746573
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (CID 114909560) is 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnc(Br)o2)nc1.
What is the InChIKey of 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XUEJTNYJNPAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3N3O/c9-7-15-14-6(16-7)5-2-1-4(3-13-5)8(10,11)12/h1-3H.
What are the key properties of 2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-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-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 114909560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).