5-fluoro-1-(2-hydroxybutyl)pyridin-2-one

C9H12FNO2 — CID 130892681

IUPAC5-fluoro-1-(2-hydroxybutyl)pyridin-2-one
SMILESCCC(O)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H12FNO2/c1-2-8(12)6-11-5-7(10)3-4-9(11)13/h3-5,8,12H,2,6H2,1H3
InChIKeyIRNGLLOJFAXRCK-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.76
Rot. Bonds3

About 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one

5-fluoro-1-(2-hydroxybutyl)pyridin-2-one (PubChem CID 130892681) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-hydroxybutyl)pyridin-2-one
PubChem CID130892681
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name5-fluoro-1-(2-hydroxybutyl)pyridin-2-one
SMILESCCC(O)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H12FNO2/c1-2-8(12)6-11-5-7(10)3-4-9(11)13/h3-5,8,12H,2,6H2,1H3
InChIKeyIRNGLLOJFAXRCK-UHFFFAOYSA-N
XLogP0.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642075
5-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642120
5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642133
1-(2-Hydroxypropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279868
1-(2-Hydroxybutyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279909
1-(2-Hydroxy-3-methylbutyl)-5-(trifluoromethyl)pyridin-2-one
CID 80449134
1-(3-Hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319036
1-(2-Hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319282
1-(2-Hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319406
1-(2-Hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319408
1-(3-Hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one
CID 81319877
1-(2-Hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319998

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one (CID 130892681) is 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one is CCC(O)Cn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one?
The InChIKey is IRNGLLOJFAXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-2-8(12)6-11-5-7(10)3-4-9(11)13/h3-5,8,12H,2,6H2,1H3.
What are the key properties of 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one?
5-fluoro-1-(2-hydroxybutyl)pyridin-2-one has a molecular weight of 185.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-hydroxybutyl)pyridin-2-one is sourced from PubChem (CID 130892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).