2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole

C13H7F2N3O — CID 25009809

IUPAC2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(-c3ccc(F)nc3)o2)c1
InChIInChI=1S/C13H7F2N3O/c14-10-3-1-2-8(6-10)12-17-18-13(19-12)9-4-5-11(15)16-7-9/h1-7H
InChIKeyFDLKCPPLEJXFSF-UHFFFAOYSA-N
MW259.22 g/mol
LogP3.08
Rot. Bonds2

About 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 25009809) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID25009809
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(-c3ccc(F)nc3)o2)c1
InChIInChI=1S/C13H7F2N3O/c14-10-3-1-2-8(6-10)12-17-18-13(19-12)9-4-5-11(15)16-7-9/h1-7H
InChIKeyFDLKCPPLEJXFSF-UHFFFAOYSA-N
XLogP3.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole (CID 25009809) is 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(-c3ccc(F)nc3)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is FDLKCPPLEJXFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-10-3-1-2-8(6-10)12-17-18-13(19-12)9-4-5-11(15)16-7-9/h1-7H.
What are the key properties of 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 259.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 25009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).