1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one

C13H10ClNO2 — CID 3746696

IUPAC1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c14-11-6-4-10(5-7-11)12(16)9-15-8-2-1-3-13(15)17/h1-8H,9H2
InChIKeyMZFXBVCPIXLEHF-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.38
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one

1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 3746696) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
PubChem CID3746696
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c14-11-6-4-10(5-7-11)12(16)9-15-8-2-1-3-13(15)17/h1-8H,9H2
InChIKeyMZFXBVCPIXLEHF-UHFFFAOYSA-N
XLogP2.38
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one (CID 3746696) is 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is MZFXBVCPIXLEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-6-4-10(5-7-11)12(16)9-15-8-2-1-3-13(15)17/h1-8H,9H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one?
1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 247.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 3746696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).