1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride

C9H14ClNO3 — CID 18678821

IUPAC1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride
SMILESCCn1ccc(=O)c(O)c1C(C)O.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-3-10-5-4-7(12)9(13)8(10)6(2)11;/h4-6,11,13H,3H2,1-2H3;1H
InChIKeyNFBYKJAYTPUKNU-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.05
Rot. Bonds2

About 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride

1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride (PubChem CID 18678821) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride
PubChem CID18678821
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride
SMILESCCn1ccc(=O)c(O)c1C(C)O.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-3-10-5-4-7(12)9(13)8(10)6(2)11;/h4-6,11,13H,3H2,1-2H3;1H
InChIKeyNFBYKJAYTPUKNU-UHFFFAOYSA-N
XLogP1.05
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride?
The IUPAC name of 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride (CID 18678821) is 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride.
What is the SMILES notation for 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride?
The canonical SMILES for 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride is CCn1ccc(=O)c(O)c1C(C)O.Cl.
What is the InChIKey of 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride?
The InChIKey is NFBYKJAYTPUKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.ClH/c1-3-10-5-4-7(12)9(13)8(10)6(2)11;/h4-6,11,13H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride?
1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one;hydrochloride is sourced from PubChem (CID 18678821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).