2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one

C10H12FNO2 — CID 59818302

IUPAC2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1cc(O)c(=O)cc1C(C)F
InChIInChI=1S/C10H12FNO2/c1-3-4-12-6-10(14)9(13)5-8(12)7(2)11/h3,5-7,14H,1,4H2,2H3
InChIKeyFLGCUGIWBLQCIZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.77
Rot. Bonds3

About 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one

2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one (PubChem CID 59818302) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one
PubChem CID59818302
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1cc(O)c(=O)cc1C(C)F
InChIInChI=1S/C10H12FNO2/c1-3-4-12-6-10(14)9(13)5-8(12)7(2)11/h3,5-7,14H,1,4H2,2H3
InChIKeyFLGCUGIWBLQCIZ-UHFFFAOYSA-N
XLogP1.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one?
The IUPAC name of 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one (CID 59818302) is 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one is C=CCn1cc(O)c(=O)cc1C(C)F.
What is the InChIKey of 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one?
The InChIKey is FLGCUGIWBLQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-3-4-12-6-10(14)9(13)5-8(12)7(2)11/h3,5-7,14H,1,4H2,2H3.
What are the key properties of 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one?
2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one has a molecular weight of 197.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 59818302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).