1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one

C8H10FNO2 — CID 69095911

IUPAC1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one
SMILESCCn1cc(O)c(=O)cc1CF
InChIInChI=1S/C8H10FNO2/c1-2-10-5-8(12)7(11)3-6(10)4-9/h3,5,12H,2,4H2,1H3
InChIKeyHAWJCRHXBRALBM-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.04
Rot. Bonds2

About 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one

1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one (PubChem CID 69095911) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one
PubChem CID69095911
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one
SMILESCCn1cc(O)c(=O)cc1CF
InChIInChI=1S/C8H10FNO2/c1-2-10-5-8(12)7(11)3-6(10)4-9/h3,5,12H,2,4H2,1H3
InChIKeyHAWJCRHXBRALBM-UHFFFAOYSA-N
XLogP1.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one
CID 82217974
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 102477006
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one
CID 82218924
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one?
The IUPAC name of 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one (CID 69095911) is 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one?
The canonical SMILES for 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one is CCn1cc(O)c(=O)cc1CF.
What is the InChIKey of 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one?
The InChIKey is HAWJCRHXBRALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-2-10-5-8(12)7(11)3-6(10)4-9/h3,5,12H,2,4H2,1H3.
What are the key properties of 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one?
1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one has a molecular weight of 171.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one is sourced from PubChem (CID 69095911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).