1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride

C11H18ClNO3 — CID 19862591

IUPAC1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
SMILESCCOCCCn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2;/h5,7,14H,3-4,6,8H2,1-2H3;1H
InChIKeyNLEHYQYEOFTARN-UHFFFAOYSA-N
MW247.72 g/mol
LogP1.71
Rot. Bonds5

About 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride

1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride (PubChem CID 19862591) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
PubChem CID19862591
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
SMILESCCOCCCn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2;/h5,7,14H,3-4,6,8H2,1-2H3;1H
InChIKeyNLEHYQYEOFTARN-UHFFFAOYSA-N
XLogP1.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-pentyl-
CID 121734
1(4H)-Pyridinepropanoic acid, 3-hydroxy-2-methyl-4-oxo-, ethyl ester
CID 10513376
CP 102
CID 86379
3-Hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one
CID 10130140

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
The IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride (CID 19862591) is 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
The canonical SMILES for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride is CCOCCCn1ccc(=O)c(O)c1C.Cl.
What is the InChIKey of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
The InChIKey is NLEHYQYEOFTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2;/h5,7,14H,3-4,6,8H2,1-2H3;1H.
What are the key properties of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride?
1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride is sourced from PubChem (CID 19862591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).