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

C14H7FN4O — CID 67026212

IUPAC3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C14H7FN4O/c15-12-5-9(7-16)4-11(6-12)14-18-13(19-20-14)10-2-1-3-17-8-10/h1-6,8H
InChIKeyUZEVJVTVCMCVHB-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.81
Rot. Bonds2

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

3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 67026212) has the molecular formula C14H7FN4O and a molecular weight of 266.24 g/mol. Its IUPAC name is 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID67026212
Molecular FormulaC14H7FN4O
Molecular Weight266.24 g/mol
Exact Mass266.06
IUPAC Name3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C14H7FN4O/c15-12-5-9(7-16)4-11(6-12)14-18-13(19-20-14)10-2-1-3-17-8-10/h1-6,8H
InChIKeyUZEVJVTVCMCVHB-UHFFFAOYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 67026212) is 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1cc(F)cc(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is UZEVJVTVCMCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN4O/c15-12-5-9(7-16)4-11(6-12)14-18-13(19-20-14)10-2-1-3-17-8-10/h1-6,8H.
What are the key properties of 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 266.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 67026212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).