3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

C21H13Cl2N3O — CID 22319098

IUPAC3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H13Cl2N3O/c22-15-6-7-17(19(23)11-15)18-10-14(20-5-1-2-9-25-20)13-26(21(18)27)16-4-3-8-24-12-16/h1-13H
InChIKeyYUEDQHPZMWJQED-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.27
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (PubChem CID 22319098) has the molecular formula C21H13Cl2N3O and a molecular weight of 394.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
PubChem CID22319098
Molecular FormulaC21H13Cl2N3O
Molecular Weight394.26 g/mol
Exact Mass393.04
IUPAC Name3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H13Cl2N3O/c22-15-6-7-17(19(23)11-15)18-10-14(20-5-1-2-9-25-20)13-26(21(18)27)16-4-3-8-24-12-16/h1-13H
InChIKeyYUEDQHPZMWJQED-UHFFFAOYSA-N
XLogP5.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (CID 22319098) is 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is YUEDQHPZMWJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O/c22-15-6-7-17(19(23)11-15)18-10-14(20-5-1-2-9-25-20)13-26(21(18)27)16-4-3-8-24-12-16/h1-13H.
What are the key properties of 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 394.26 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 22319098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).