ethane;1-ethyl-3-hydroxypyridin-4-one

C9H15NO2 — CID 168951321

IUPACethane;1-ethyl-3-hydroxypyridin-4-one
SMILESCC.CCn1ccc(=O)c(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-2-8-4-3-6(9)7(10)5-8;1-2/h3-5,10H,2H2,1H3;1-2H3
InChIKeyVJYGOWBQPUYCAR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.60
Rot. Bonds1

About ethane;1-ethyl-3-hydroxypyridin-4-one

ethane;1-ethyl-3-hydroxypyridin-4-one (PubChem CID 168951321) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethane;1-ethyl-3-hydroxypyridin-4-one.

Molecular Properties

Compound Nameethane;1-ethyl-3-hydroxypyridin-4-one
PubChem CID168951321
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethane;1-ethyl-3-hydroxypyridin-4-one
SMILESCC.CCn1ccc(=O)c(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-2-8-4-3-6(9)7(10)5-8;1-2/h3-5,10H,2H2,1H3;1-2H3
InChIKeyVJYGOWBQPUYCAR-UHFFFAOYSA-N
XLogP1.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-hydroxypyridin-4-one?
The IUPAC name of ethane;1-ethyl-3-hydroxypyridin-4-one (CID 168951321) is ethane;1-ethyl-3-hydroxypyridin-4-one.
What is the SMILES notation for ethane;1-ethyl-3-hydroxypyridin-4-one?
The canonical SMILES for ethane;1-ethyl-3-hydroxypyridin-4-one is CC.CCn1ccc(=O)c(O)c1.
What is the InChIKey of ethane;1-ethyl-3-hydroxypyridin-4-one?
The InChIKey is VJYGOWBQPUYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-2-8-4-3-6(9)7(10)5-8;1-2/h3-5,10H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-hydroxypyridin-4-one?
ethane;1-ethyl-3-hydroxypyridin-4-one has a molecular weight of 169.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-hydroxypyridin-4-one is sourced from PubChem (CID 168951321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).