1-(2-fluoroethyl)-3-hydroxypyridin-4-one

C7H8FNO2 — CID 118407970

IUPAC1-(2-fluoroethyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(CCF)cc1O
InChIInChI=1S/C7H8FNO2/c8-2-4-9-3-1-6(10)7(11)5-9/h1,3,5,11H,2,4H2
InChIKeyUNKYKBBPOKJNEY-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.52
Rot. Bonds2

About 1-(2-fluoroethyl)-3-hydroxypyridin-4-one

1-(2-fluoroethyl)-3-hydroxypyridin-4-one (PubChem CID 118407970) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-hydroxypyridin-4-one
PubChem CID118407970
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name1-(2-fluoroethyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(CCF)cc1O
InChIInChI=1S/C7H8FNO2/c8-2-4-9-3-1-6(10)7(11)5-9/h1,3,5,11H,2,4H2
InChIKeyUNKYKBBPOKJNEY-UHFFFAOYSA-N
XLogP0.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The IUPAC name of 1-(2-fluoroethyl)-3-hydroxypyridin-4-one (CID 118407970) is 1-(2-fluoroethyl)-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The canonical SMILES for 1-(2-fluoroethyl)-3-hydroxypyridin-4-one is O=c1ccn(CCF)cc1O.
What is the InChIKey of 1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The InChIKey is UNKYKBBPOKJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-2-4-9-3-1-6(10)7(11)5-9/h1,3,5,11H,2,4H2.
What are the key properties of 1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
1-(2-fluoroethyl)-3-hydroxypyridin-4-one has a molecular weight of 157.14 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-hydroxypyridin-4-one is sourced from PubChem (CID 118407970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).