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

C8H10FNO2 — CID 154392939

IUPAC1-(2-fluoroethyl)-3-methoxypyridin-4-one
SMILESCOc1cn(CCF)ccc1=O
InChIInChI=1S/C8H10FNO2/c1-12-8-6-10(5-3-9)4-2-7(8)11/h2,4,6H,3,5H2,1H3
InChIKeyQXKXULADZSLAKK-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.83
Rot. Bonds3

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

1-(2-fluoroethyl)-3-methoxypyridin-4-one (PubChem CID 154392939) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methoxypyridin-4-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methoxypyridin-4-one
PubChem CID154392939
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name1-(2-fluoroethyl)-3-methoxypyridin-4-one
SMILESCOc1cn(CCF)ccc1=O
InChIInChI=1S/C8H10FNO2/c1-12-8-6-10(5-3-9)4-2-7(8)11/h2,4,6H,3,5H2,1H3
InChIKeyQXKXULADZSLAKK-UHFFFAOYSA-N
XLogP0.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methoxypyridin-4-one?
The IUPAC name of 1-(2-fluoroethyl)-3-methoxypyridin-4-one (CID 154392939) is 1-(2-fluoroethyl)-3-methoxypyridin-4-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methoxypyridin-4-one?
The canonical SMILES for 1-(2-fluoroethyl)-3-methoxypyridin-4-one is COc1cn(CCF)ccc1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-methoxypyridin-4-one?
The InChIKey is QXKXULADZSLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-12-8-6-10(5-3-9)4-2-7(8)11/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methoxypyridin-4-one?
1-(2-fluoroethyl)-3-methoxypyridin-4-one has a molecular weight of 171.17 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methoxypyridin-4-one is sourced from PubChem (CID 154392939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).