5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one

C10H12FNO2 — CID 167221109

IUPAC5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one
SMILESC=C(OCC)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C10H12FNO2/c1-4-14-7(2)8-5-9(11)10(13)12(3)6-8/h5-6H,2,4H2,1,3H3
InChIKeyNUADFIHNTXRHCW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.53
Rot. Bonds3

About 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one

5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one (PubChem CID 167221109) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one
PubChem CID167221109
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one
SMILESC=C(OCC)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C10H12FNO2/c1-4-14-7(2)8-5-9(11)10(13)12(3)6-8/h5-6H,2,4H2,1,3H3
InChIKeyNUADFIHNTXRHCW-UHFFFAOYSA-N
XLogP1.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one (CID 167221109) is 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one is C=C(OCC)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one?
The InChIKey is NUADFIHNTXRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-4-14-7(2)8-5-9(11)10(13)12(3)6-8/h5-6H,2,4H2,1,3H3.
What are the key properties of 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one?
5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one has a molecular weight of 197.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 167221109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).