1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one

C11H14F3NO2 — CID 81319666

IUPAC1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCCCO
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)9-5-4-6-10(17)15(9)7-2-1-3-8-16/h4-6,16H,1-3,7-8H2
InChIKeyGURWBCORQRYLLY-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.03
Rot. Bonds5

About 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one

1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319666) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319666
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCCCO
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)9-5-4-6-10(17)15(9)7-2-1-3-8-16/h4-6,16H,1-3,7-8H2
InChIKeyGURWBCORQRYLLY-UHFFFAOYSA-N
XLogP2.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319666) is 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GURWBCORQRYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)9-5-4-6-10(17)15(9)7-2-1-3-8-16/h4-6,16H,1-3,7-8H2.
What are the key properties of 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one?
1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 249.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).