5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one

C22H14F3N3O — CID 22319214

IUPAC5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-27-20)14-28(21(18)29)16-6-5-10-26-13-16/h1-14H
InChIKeyQLJIDZFJNALBLL-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.98
Rot. Bonds3

About 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one

5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 22319214) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID22319214
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-27-20)14-28(21(18)29)16-6-5-10-26-13-16/h1-14H
InChIKeyQLJIDZFJNALBLL-UHFFFAOYSA-N
XLogP4.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one (CID 22319214) is 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one is O=c1c(-c2ccccc2C(F)(F)F)cc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is QLJIDZFJNALBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-27-20)14-28(21(18)29)16-6-5-10-26-13-16/h1-14H.
What are the key properties of 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one?
5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 393.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 22319214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).