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

C7H8FNO2 — CID 91618560

IUPAC3-ethoxy-2-fluoro-1H-pyridin-4-one
SMILESCCOc1c(F)[nH]ccc1=O
InChIInChI=1S/C7H8FNO2/c1-2-11-6-5(10)3-4-9-7(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHVPYAXMONXKTNH-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.91
Rot. Bonds2

About 3-ethoxy-2-fluoro-1H-pyridin-4-one

3-ethoxy-2-fluoro-1H-pyridin-4-one (PubChem CID 91618560) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 3-ethoxy-2-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-ethoxy-2-fluoro-1H-pyridin-4-one
PubChem CID91618560
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name3-ethoxy-2-fluoro-1H-pyridin-4-one
SMILESCCOc1c(F)[nH]ccc1=O
InChIInChI=1S/C7H8FNO2/c1-2-11-6-5(10)3-4-9-7(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHVPYAXMONXKTNH-UHFFFAOYSA-N
XLogP0.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-ethoxy-2-fluoro-1H-pyridin-4-one (CID 91618560) is 3-ethoxy-2-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-ethoxy-2-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-ethoxy-2-fluoro-1H-pyridin-4-one is CCOc1c(F)[nH]ccc1=O.
What is the InChIKey of 3-ethoxy-2-fluoro-1H-pyridin-4-one?
The InChIKey is HVPYAXMONXKTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-11-6-5(10)3-4-9-7(6)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-ethoxy-2-fluoro-1H-pyridin-4-one?
3-ethoxy-2-fluoro-1H-pyridin-4-one has a molecular weight of 157.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 91618560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).