3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one

C15H16ClNO2 — CID 82517951

IUPAC3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
SMILESCCOc1ccc(-c2ccc(CCl)c(=O)n2C)cc1
InChIInChI=1S/C15H16ClNO2/c1-3-19-13-7-4-11(5-8-13)14-9-6-12(10-16)15(18)17(14)2/h4-9H,3,10H2,1-2H3
InChIKeyIYMHYHDRICOFQA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.19
Rot. Bonds4

About 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one

3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one (PubChem CID 82517951) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
PubChem CID82517951
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
SMILESCCOc1ccc(-c2ccc(CCl)c(=O)n2C)cc1
InChIInChI=1S/C15H16ClNO2/c1-3-19-13-7-4-11(5-8-13)14-9-6-12(10-16)15(18)17(14)2/h4-9H,3,10H2,1-2H3
InChIKeyIYMHYHDRICOFQA-UHFFFAOYSA-N
XLogP3.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
4-(chloromethyl)-3-(4-ethoxyphenyl)-1-methylpyrazole
CID 39095673
3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518112
3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
CID 82189529
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520637

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one (CID 82517951) is 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one is CCOc1ccc(-c2ccc(CCl)c(=O)n2C)cc1.
What is the InChIKey of 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is IYMHYHDRICOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-19-13-7-4-11(5-8-13)14-9-6-12(10-16)15(18)17(14)2/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one?
3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82517951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).