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

C7H4FN3O — CID 123747888

IUPAC3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)nc1
InChIInChI=1S/C7H4FN3O/c8-5-1-2-6(9-3-5)7-10-4-12-11-7/h1-4H
InChIKeyOALIQJOIUFFLLB-UHFFFAOYSA-N
MW165.13 g/mol
LogP1.27
Rot. Bonds1

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

3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 123747888) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID123747888
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)nc1
InChIInChI=1S/C7H4FN3O/c8-5-1-2-6(9-3-5)7-10-4-12-11-7/h1-4H
InChIKeyOALIQJOIUFFLLB-UHFFFAOYSA-N
XLogP1.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 123747888) is 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(-c2ncon2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is OALIQJOIUFFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-5-1-2-6(9-3-5)7-10-4-12-11-7/h1-4H.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 165.13 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 123747888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).