1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one

C9H11FN2O2 — CID 176905694

IUPAC1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one
SMILESCCc1cc(F)c(N)n(C(C)=O)c1=O
InChIInChI=1S/C9H11FN2O2/c1-3-6-4-7(10)8(11)12(5(2)13)9(6)14/h4H,3,11H2,1-2H3
InChIKeyGUWXAXXRDPELAN-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.79
Rot. Bonds1

About 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one

1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one (PubChem CID 176905694) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one
PubChem CID176905694
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one
SMILESCCc1cc(F)c(N)n(C(C)=O)c1=O
InChIInChI=1S/C9H11FN2O2/c1-3-6-4-7(10)8(11)12(5(2)13)9(6)14/h4H,3,11H2,1-2H3
InChIKeyGUWXAXXRDPELAN-UHFFFAOYSA-N
XLogP0.79
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one?
The IUPAC name of 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one (CID 176905694) is 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one.
What is the SMILES notation for 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one?
The canonical SMILES for 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one is CCc1cc(F)c(N)n(C(C)=O)c1=O.
What is the InChIKey of 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one?
The InChIKey is GUWXAXXRDPELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-3-6-4-7(10)8(11)12(5(2)13)9(6)14/h4H,3,11H2,1-2H3.
What are the key properties of 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one?
1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one has a molecular weight of 198.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one is sourced from PubChem (CID 176905694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).