6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one

C15H16ClNO3 — CID 82517171

IUPAC6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
SMILESCCn1c(-c2ccc(OC)c(Cl)c2)ccc(CO)c1=O
InChIInChI=1S/C15H16ClNO3/c1-3-17-13(6-4-11(9-18)15(17)19)10-5-7-14(20-2)12(16)8-10/h4-8,18H,3,9H2,1-2H3
InChIKeyZWVMVGQMARZTMX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.69
Rot. Bonds4

About 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one

6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one (PubChem CID 82517171) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
PubChem CID82517171
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
SMILESCCn1c(-c2ccc(OC)c(Cl)c2)ccc(CO)c1=O
InChIInChI=1S/C15H16ClNO3/c1-3-17-13(6-4-11(9-18)15(17)19)10-5-7-14(20-2)12(16)8-10/h4-8,18H,3,9H2,1-2H3
InChIKeyZWVMVGQMARZTMX-UHFFFAOYSA-N
XLogP2.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82445230
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one (CID 82517171) is 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one is CCn1c(-c2ccc(OC)c(Cl)c2)ccc(CO)c1=O.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The InChIKey is ZWVMVGQMARZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-3-17-13(6-4-11(9-18)15(17)19)10-5-7-14(20-2)12(16)8-10/h4-8,18H,3,9H2,1-2H3.
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one has a molecular weight of 293.75 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 82517171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).