3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one

C17H9Cl4NO — CID 133092457

IUPAC3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H9Cl4NO/c18-13-5-1-3-10(15(13)20)9-7-12(17(23)22-8-9)11-4-2-6-14(19)16(11)21/h1-8H,(H,22,23)
InChIKeyUUSLGONUBZOEAO-UHFFFAOYSA-N
MW385.08 g/mol
LogP6.32
Rot. Bonds2

About 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one

3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092457) has the molecular formula C17H9Cl4NO and a molecular weight of 385.08 g/mol. Its IUPAC name is 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
PubChem CID133092457
Molecular FormulaC17H9Cl4NO
Molecular Weight385.08 g/mol
Exact Mass382.94
IUPAC Name3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H9Cl4NO/c18-13-5-1-3-10(15(13)20)9-7-12(17(23)22-8-9)11-4-2-6-14(19)16(11)21/h1-8H,(H,22,23)
InChIKeyUUSLGONUBZOEAO-UHFFFAOYSA-N
XLogP6.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.08
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53223981
3-(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 53218031
5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
CID 103695282
3,5-bis(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092089
5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
CID 74982377
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 133092688
CID 172733378
CID 172733378
5-(2,6-dichlorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 133092727
4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
CID 136691812
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 133092724
4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde
CID 87584158

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one (CID 133092457) is 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one?
The InChIKey is UUSLGONUBZOEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl4NO/c18-13-5-1-3-10(15(13)20)9-7-12(17(23)22-8-9)11-4-2-6-14(19)16(11)21/h1-8H,(H,22,23).
What are the key properties of 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one?
3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one has a molecular weight of 385.08 g/mol, XLogP of 6.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).