1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one

C18H15ClN2O2 — CID 54683847

IUPAC1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one
SMILESCCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-15-17(22)10-16(12-4-3-9-20-11-12)21(18(15)23)14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3
InChIKeyUFMCIWKBHLCQME-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one

1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one (PubChem CID 54683847) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one
PubChem CID54683847
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one
SMILESCCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-15-17(22)10-16(12-4-3-9-20-11-12)21(18(15)23)14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3
InChIKeyUFMCIWKBHLCQME-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one (CID 54683847) is 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one is CCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one?
The InChIKey is UFMCIWKBHLCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-15-17(22)10-16(12-4-3-9-20-11-12)21(18(15)23)14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one?
1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one has a molecular weight of 326.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-ethyl-4-hydroxy-6-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 54683847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).