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

C9H10FNO2 — CID 167395828

IUPAC3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one
SMILESC=C(OC)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C9H10FNO2/c1-6(13-3)7-4-8(10)9(12)11(2)5-7/h4-5H,1H2,2-3H3
InChIKeyAIYOBGVEUNRITM-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.14
Rot. Bonds2

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

3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one (PubChem CID 167395828) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one
PubChem CID167395828
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one
SMILESC=C(OC)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C9H10FNO2/c1-6(13-3)7-4-8(10)9(12)11(2)5-7/h4-5H,1H2,2-3H3
InChIKeyAIYOBGVEUNRITM-UHFFFAOYSA-N
XLogP1.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.14
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 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one (CID 167395828) is 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one is C=C(OC)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one?
The InChIKey is AIYOBGVEUNRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(13-3)7-4-8(10)9(12)11(2)5-7/h4-5H,1H2,2-3H3.
What are the key properties of 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one?
3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one has a molecular weight of 183.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 167395828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).