5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C13H8FN3O — CID 6463470

IUPAC5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
InChIKeyKKOMUMXAHMIGQB-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.94
Rot. Bonds2

About 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 6463470) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID6463470
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
InChIKeyKKOMUMXAHMIGQB-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 6463470) is 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Fc1cccc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is KKOMUMXAHMIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H.
What are the key properties of 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 241.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).