2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one

C9H13NO3 — CID 118404035

IUPAC2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one
SMILESCCc1[nH]cc(C(C)O)c(=O)c1O
InChIInChI=1S/C9H13NO3/c1-3-7-9(13)8(12)6(4-10-7)5(2)11/h4-5,11,13H,3H2,1-2H3,(H,10,12)
InChIKeyDPNOLLPXWNAZGT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.70
Rot. Bonds2

About 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one

2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one (PubChem CID 118404035) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one
PubChem CID118404035
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one
SMILESCCc1[nH]cc(C(C)O)c(=O)c1O
InChIInChI=1S/C9H13NO3/c1-3-7-9(13)8(12)6(4-10-7)5(2)11/h4-5,11,13H,3H2,1-2H3,(H,10,12)
InChIKeyDPNOLLPXWNAZGT-UHFFFAOYSA-N
XLogP0.70
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one (CID 118404035) is 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one is CCc1[nH]cc(C(C)O)c(=O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one?
The InChIKey is DPNOLLPXWNAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-7-9(13)8(12)6(4-10-7)5(2)11/h4-5,11,13H,3H2,1-2H3,(H,10,12).
What are the key properties of 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one?
2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-5-(1-hydroxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118404035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).