2-ethyl-3-hydroxy-1H-pyridin-4-one

C7H9NO2 — CID 10975567

IUPAC2-ethyl-3-hydroxy-1H-pyridin-4-one
SMILESCCc1[nH]ccc(=O)c1O
InChIInChI=1S/C7H9NO2/c1-2-5-7(10)6(9)3-4-8-5/h3-4,10H,2H2,1H3,(H,8,9)
InChIKeyZCSPHZQZAPBTHT-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.64
Rot. Bonds1

About 2-ethyl-3-hydroxy-1H-pyridin-4-one

2-ethyl-3-hydroxy-1H-pyridin-4-one (PubChem CID 10975567) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1H-pyridin-4-one
PubChem CID10975567
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-ethyl-3-hydroxy-1H-pyridin-4-one
SMILESCCc1[nH]ccc(=O)c1O
InChIInChI=1S/C7H9NO2/c1-2-5-7(10)6(9)3-4-8-5/h3-4,10H,2H2,1H3,(H,8,9)
InChIKeyZCSPHZQZAPBTHT-UHFFFAOYSA-N
XLogP0.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1H-pyridin-4-one (CID 10975567) is 2-ethyl-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1H-pyridin-4-one is CCc1[nH]ccc(=O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-1H-pyridin-4-one?
The InChIKey is ZCSPHZQZAPBTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-5-7(10)6(9)3-4-8-5/h3-4,10H,2H2,1H3,(H,8,9).
What are the key properties of 2-ethyl-3-hydroxy-1H-pyridin-4-one?
2-ethyl-3-hydroxy-1H-pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 10975567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).