4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

C13H8FN3O2 — CID 137021595

IUPAC4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccnc(F)c3)n2)cc1
InChIInChI=1S/C13H8FN3O2/c14-11-7-9(5-6-15-11)13-16-12(17-19-13)8-1-3-10(18)4-2-8/h1-7,18H
InChIKeyFGMNNXYGIAPTCF-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.64
Rot. Bonds2

About 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 137021595) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID137021595
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccnc(F)c3)n2)cc1
InChIInChI=1S/C13H8FN3O2/c14-11-7-9(5-6-15-11)13-16-12(17-19-13)8-1-3-10(18)4-2-8/h1-7,18H
InChIKeyFGMNNXYGIAPTCF-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

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 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 137021595) is 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3ccnc(F)c3)n2)cc1.
What is the InChIKey of 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is FGMNNXYGIAPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-11-7-9(5-6-15-11)13-16-12(17-19-13)8-1-3-10(18)4-2-8/h1-7,18H.
What are the key properties of 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-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 4-[5-(2-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 137021595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).