3-ethyl-1-(2-fluoroethyl)pyridin-2-one

C9H12FNO — CID 170635948

IUPAC3-ethyl-1-(2-fluoroethyl)pyridin-2-one
SMILESCCc1cccn(CCF)c1=O
InChIInChI=1S/C9H12FNO/c1-2-8-4-3-6-11(7-5-10)9(8)12/h3-4,6H,2,5,7H2,1H3
InChIKeyJRPQYYXIYFOCDD-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.38
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)pyridin-2-one

3-ethyl-1-(2-fluoroethyl)pyridin-2-one (PubChem CID 170635948) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)pyridin-2-one
PubChem CID170635948
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-ethyl-1-(2-fluoroethyl)pyridin-2-one
SMILESCCc1cccn(CCF)c1=O
InChIInChI=1S/C9H12FNO/c1-2-8-4-3-6-11(7-5-10)9(8)12/h3-4,6H,2,5,7H2,1H3
InChIKeyJRPQYYXIYFOCDD-UHFFFAOYSA-N
XLogP1.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)pyridin-2-one?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)pyridin-2-one (CID 170635948) is 3-ethyl-1-(2-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)pyridin-2-one?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)pyridin-2-one is CCc1cccn(CCF)c1=O.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)pyridin-2-one?
The InChIKey is JRPQYYXIYFOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-8-4-3-6-11(7-5-10)9(8)12/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 3-ethyl-1-(2-fluoroethyl)pyridin-2-one?
3-ethyl-1-(2-fluoroethyl)pyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 170635948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).