2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one

C14H14ClNO — CID 3758950

IUPAC2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-3-16-10(2)8-13(17)9-14(16)11-4-6-12(15)7-5-11/h4-9H,3H2,1-2H3
InChIKeyYMNDGBVUGBSQOV-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one

2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one (PubChem CID 3758950) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one
PubChem CID3758950
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-3-16-10(2)8-13(17)9-14(16)11-4-6-12(15)7-5-11/h4-9H,3H2,1-2H3
InChIKeyYMNDGBVUGBSQOV-UHFFFAOYSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one (CID 3758950) is 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one is CCn1c(C)cc(=O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one?
The InChIKey is YMNDGBVUGBSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-3-16-10(2)8-13(17)9-14(16)11-4-6-12(15)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one?
2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one has a molecular weight of 247.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-ethyl-6-methylpyridin-4-one is sourced from PubChem (CID 3758950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).