2-ethyl-3,5-dihydroxy-1H-pyridin-4-one

C7H9NO3 — CID 134860852

IUPAC2-ethyl-3,5-dihydroxy-1H-pyridin-4-one
SMILESCCc1[nH]cc(O)c(=O)c1O
InChIInChI=1S/C7H9NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h3,9-10H,2H2,1H3,(H,8,11)
InChIKeyGRIZHEAPGOBTEM-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.35
Rot. Bonds1

About 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one

2-ethyl-3,5-dihydroxy-1H-pyridin-4-one (PubChem CID 134860852) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3,5-dihydroxy-1H-pyridin-4-one
PubChem CID134860852
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-ethyl-3,5-dihydroxy-1H-pyridin-4-one
SMILESCCc1[nH]cc(O)c(=O)c1O
InChIInChI=1S/C7H9NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h3,9-10H,2H2,1H3,(H,8,11)
InChIKeyGRIZHEAPGOBTEM-UHFFFAOYSA-N
XLogP0.35
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one (CID 134860852) is 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one is CCc1[nH]cc(O)c(=O)c1O.
What is the InChIKey of 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one?
The InChIKey is GRIZHEAPGOBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h3,9-10H,2H2,1H3,(H,8,11).
What are the key properties of 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one?
2-ethyl-3,5-dihydroxy-1H-pyridin-4-one has a molecular weight of 155.15 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dihydroxy-1H-pyridin-4-one is sourced from PubChem (CID 134860852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).