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

C9H12FNO2 — CID 118534403

IUPAC2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCF
InChIInChI=1S/C9H12FNO2/c1-2-7-9(13)8(12)3-5-11(7)6-4-10/h3,5,13H,2,4,6H2,1H3
InChIKeyNDIMUCXLWHHFMN-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.09
Rot. Bonds3

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

2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one (PubChem CID 118534403) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
PubChem CID118534403
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCF
InChIInChI=1S/C9H12FNO2/c1-2-7-9(13)8(12)3-5-11(7)6-4-10/h3,5,13H,2,4,6H2,1H3
InChIKeyNDIMUCXLWHHFMN-UHFFFAOYSA-N
XLogP1.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The IUPAC name of 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one (CID 118534403) is 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one.
What is the SMILES notation for 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The canonical SMILES for 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one is CCc1c(O)c(=O)ccn1CCF.
What is the InChIKey of 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
The InChIKey is NDIMUCXLWHHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-2-7-9(13)8(12)3-5-11(7)6-4-10/h3,5,13H,2,4,6H2,1H3.
What are the key properties of 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one?
2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one has a molecular weight of 185.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one is sourced from PubChem (CID 118534403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).