3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole

C8H3Cl3FN3O — CID 155230305

IUPAC3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFc1cccnc1-c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H3Cl3FN3O/c9-8(10,11)7-14-6(15-16-7)5-4(12)2-1-3-13-5/h1-3H
InChIKeySWRUMPYVVUNNQL-UHFFFAOYSA-N
MW282.49 g/mol
LogP3.10
Rot. Bonds1

About 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole

3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole (PubChem CID 155230305) has the molecular formula C8H3Cl3FN3O and a molecular weight of 282.49 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
PubChem CID155230305
Molecular FormulaC8H3Cl3FN3O
Molecular Weight282.49 g/mol
Exact Mass280.93
IUPAC Name3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFc1cccnc1-c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H3Cl3FN3O/c9-8(10,11)7-14-6(15-16-7)5-4(12)2-1-3-13-5/h1-3H
InChIKeySWRUMPYVVUNNQL-UHFFFAOYSA-N
XLogP3.10
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole (CID 155230305) is 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole is Fc1cccnc1-c1noc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The InChIKey is SWRUMPYVVUNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3FN3O/c9-8(10,11)7-14-6(15-16-7)5-4(12)2-1-3-13-5/h1-3H.
What are the key properties of 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole has a molecular weight of 282.49 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155230305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).