2-ethoxy-1H-pyridin-4-one

C7H9NO2 — CID 55288265

IUPAC2-ethoxy-1H-pyridin-4-one
SMILESCCOc1cc(=O)cc[nH]1
InChIInChI=1S/C7H9NO2/c1-2-10-7-5-6(9)3-4-8-7/h3-5H,2H2,1H3,(H,8,9)
InChIKeyLLKUHBGYFVZGNO-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.77
Rot. Bonds2

About 2-ethoxy-1H-pyridin-4-one

2-ethoxy-1H-pyridin-4-one (PubChem CID 55288265) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-ethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethoxy-1H-pyridin-4-one
PubChem CID55288265
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-ethoxy-1H-pyridin-4-one
SMILESCCOc1cc(=O)cc[nH]1
InChIInChI=1S/C7H9NO2/c1-2-10-7-5-6(9)3-4-8-7/h3-5H,2H2,1H3,(H,8,9)
InChIKeyLLKUHBGYFVZGNO-UHFFFAOYSA-N
XLogP0.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1H-pyridin-4-one?
The IUPAC name of 2-ethoxy-1H-pyridin-4-one (CID 55288265) is 2-ethoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-ethoxy-1H-pyridin-4-one?
The canonical SMILES for 2-ethoxy-1H-pyridin-4-one is CCOc1cc(=O)cc[nH]1.
What is the InChIKey of 2-ethoxy-1H-pyridin-4-one?
The InChIKey is LLKUHBGYFVZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-10-7-5-6(9)3-4-8-7/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 2-ethoxy-1H-pyridin-4-one?
2-ethoxy-1H-pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1H-pyridin-4-one is sourced from PubChem (CID 55288265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).