1-acetyl-3-ethyl-5-fluoropyridin-2-one

C9H10FNO2 — CID 176905745

IUPAC1-acetyl-3-ethyl-5-fluoropyridin-2-one
SMILESCCc1cc(F)cn(C(C)=O)c1=O
InChIInChI=1S/C9H10FNO2/c1-3-7-4-8(10)5-11(6(2)12)9(7)13/h4-5H,3H2,1-2H3
InChIKeyDPBIVIYJCGWZKX-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.21
Rot. Bonds1

About 1-acetyl-3-ethyl-5-fluoropyridin-2-one

1-acetyl-3-ethyl-5-fluoropyridin-2-one (PubChem CID 176905745) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-acetyl-3-ethyl-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-acetyl-3-ethyl-5-fluoropyridin-2-one
PubChem CID176905745
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-acetyl-3-ethyl-5-fluoropyridin-2-one
SMILESCCc1cc(F)cn(C(C)=O)c1=O
InChIInChI=1S/C9H10FNO2/c1-3-7-4-8(10)5-11(6(2)12)9(7)13/h4-5H,3H2,1-2H3
InChIKeyDPBIVIYJCGWZKX-UHFFFAOYSA-N
XLogP1.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-acetyl-2-pyridone
CID 82526873
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1,3-Dimethyl-5-methylidene-4-(trifluoromethyl)pyridine-2,6-dione
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3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-(3-Oxobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57986013
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
1-(2-Fluoroethyl)-5-methylpyridin-2-one
CID 84409535
5-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89642068
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-ethyl-5-fluoropyridin-2-one?
The IUPAC name of 1-acetyl-3-ethyl-5-fluoropyridin-2-one (CID 176905745) is 1-acetyl-3-ethyl-5-fluoropyridin-2-one.
What is the SMILES notation for 1-acetyl-3-ethyl-5-fluoropyridin-2-one?
The canonical SMILES for 1-acetyl-3-ethyl-5-fluoropyridin-2-one is CCc1cc(F)cn(C(C)=O)c1=O.
What is the InChIKey of 1-acetyl-3-ethyl-5-fluoropyridin-2-one?
The InChIKey is DPBIVIYJCGWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-3-7-4-8(10)5-11(6(2)12)9(7)13/h4-5H,3H2,1-2H3.
What are the key properties of 1-acetyl-3-ethyl-5-fluoropyridin-2-one?
1-acetyl-3-ethyl-5-fluoropyridin-2-one has a molecular weight of 183.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-ethyl-5-fluoropyridin-2-one is sourced from PubChem (CID 176905745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).