3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

C21H14ClN3O — CID 22319259

IUPAC3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(-c2cccnc2Cl)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C21H14ClN3O/c22-20-17(9-6-12-24-20)18-13-15(19-10-4-5-11-23-19)14-25(21(18)26)16-7-2-1-3-8-16/h1-14H
InChIKeyAISWTIWIIAADRP-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.61
Rot. Bonds3

About 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22319259) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22319259
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(-c2cccnc2Cl)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C21H14ClN3O/c22-20-17(9-6-12-24-20)18-13-15(19-10-4-5-11-23-19)14-25(21(18)26)16-7-2-1-3-8-16/h1-14H
InChIKeyAISWTIWIIAADRP-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22319259) is 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(-c2cccnc2Cl)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is AISWTIWIIAADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-20-17(9-6-12-24-20)18-13-15(19-10-4-5-11-23-19)14-25(21(18)26)16-7-2-1-3-8-16/h1-14H.
What are the key properties of 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 359.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22319259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).