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

C7H4FN3O — CID 141446010

IUPAC2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cnccc1-c1nnco1
InChIInChI=1S/C7H4FN3O/c8-6-3-9-2-1-5(6)7-11-10-4-12-7/h1-4H
InChIKeyCAWYNLVUXVTYIO-UHFFFAOYSA-N
MW165.13 g/mol
LogP1.27
Rot. Bonds1

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

2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 141446010) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID141446010
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cnccc1-c1nnco1
InChIInChI=1S/C7H4FN3O/c8-6-3-9-2-1-5(6)7-11-10-4-12-7/h1-4H
InChIKeyCAWYNLVUXVTYIO-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 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole (CID 141446010) is 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole is Fc1cnccc1-c1nnco1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is CAWYNLVUXVTYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-6-3-9-2-1-5(6)7-11-10-4-12-7/h1-4H.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
2-(3-fluoro-4-pyridinyl)-1,3,4-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 2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 141446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).