2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one

C14H14ClNO — CID 90112149

IUPAC2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one
SMILESCCC1=C(C)N=C(c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C14H14ClNO/c1-3-12-9(2)16-13(8-14(12)17)10-5-4-6-11(15)7-10/h4-7H,3,8H2,1-2H3
InChIKeyPJLWKBSJUCWGOV-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.79
Rot. Bonds2

About 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one

2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one (PubChem CID 90112149) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one
PubChem CID90112149
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one
SMILESCCC1=C(C)N=C(c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C14H14ClNO/c1-3-12-9(2)16-13(8-14(12)17)10-5-4-6-11(15)7-10/h4-7H,3,8H2,1-2H3
InChIKeyPJLWKBSJUCWGOV-UHFFFAOYSA-N
XLogP3.79
TPSA29.43 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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one (CID 90112149) is 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one is CCC1=C(C)N=C(c2cccc(Cl)c2)CC1=O.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one?
The InChIKey is PJLWKBSJUCWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-3-12-9(2)16-13(8-14(12)17)10-5-4-6-11(15)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one?
2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one has a molecular weight of 247.72 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-ethyl-6-methyl-3H-pyridin-4-one is sourced from PubChem (CID 90112149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).