2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C23H14FN3O — CID 22318982

IUPAC2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H14FN3O/c24-18-8-10-19(11-9-18)27-15-17(22-7-3-4-12-26-22)13-21(23(27)28)20-6-2-1-5-16(20)14-25/h1-13,15H
InChIKeyWGGKBQUXECUXRN-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.58
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 22318982) has the molecular formula C23H14FN3O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID22318982
Molecular FormulaC23H14FN3O
Molecular Weight367.38 g/mol
Exact Mass367.11
IUPAC Name2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H14FN3O/c24-18-8-10-19(11-9-18)27-15-17(22-7-3-4-12-26-22)13-21(23(27)28)20-6-2-1-5-16(20)14-25/h1-13,15H
InChIKeyWGGKBQUXECUXRN-UHFFFAOYSA-N
XLogP4.58
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 22318982) is 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is WGGKBQUXECUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O/c24-18-8-10-19(11-9-18)27-15-17(22-7-3-4-12-26-22)13-21(23(27)28)20-6-2-1-5-16(20)14-25/h1-13,15H.
What are the key properties of 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 367.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 22318982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).