2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol

C13H8FN3O2 — CID 67026267

IUPAC2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1cc(-c2nc(-c3cccnc3)no2)ccc1F
InChIInChI=1S/C13H8FN3O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H
InChIKeyWNGRMNBSNXXLOB-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.64
Rot. Bonds2

About 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol

2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 67026267) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID67026267
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1cc(-c2nc(-c3cccnc3)no2)ccc1F
InChIInChI=1S/C13H8FN3O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H
InChIKeyWNGRMNBSNXXLOB-UHFFFAOYSA-N
XLogP2.64
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 67026267) is 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1cc(-c2nc(-c3cccnc3)no2)ccc1F.
What is the InChIKey of 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is WNGRMNBSNXXLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H.
What are the key properties of 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 257.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 67026267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).