4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile

C20H15FN2O3 — CID 140839140

IUPAC4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1
InChIInChI=1S/C20H15FN2O3/c21-16-3-5-17(6-4-16)23-10-9-19(13-20(23)24)26-12-11-25-18-7-1-15(14-22)2-8-18/h1-10,13H,11-12H2
InChIKeyYZXGBQZOBJGTPU-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.31
Rot. Bonds6

About 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile

4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile (PubChem CID 140839140) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile
PubChem CID140839140
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1
InChIInChI=1S/C20H15FN2O3/c21-16-3-5-17(6-4-16)23-10-9-19(13-20(23)24)26-12-11-25-18-7-1-15(14-22)2-8-18/h1-10,13H,11-12H2
InChIKeyYZXGBQZOBJGTPU-UHFFFAOYSA-N
XLogP3.31
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-[2-[(2-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one
CID 122456147
1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one
CID 155518189
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 53476377
4-[3-(3-fluorophenoxy)propoxy]benzonitrile
CID 43289409
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521
1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one
CID 122455992
4-[3-(4-pyrrol-1-ylphenoxy)propoxy]benzonitrile
CID 122177778
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile (CID 140839140) is 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile is N#Cc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1.
What is the InChIKey of 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile?
The InChIKey is YZXGBQZOBJGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-3-5-17(6-4-16)23-10-9-19(13-20(23)24)26-12-11-25-18-7-1-15(14-22)2-8-18/h1-10,13H,11-12H2.
What are the key properties of 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile?
4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile has a molecular weight of 350.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile is sourced from PubChem (CID 140839140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).