1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one

C10H12F3NO2 — CID 81319036

IUPAC1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO2/c1-7(15)5-6-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3
InChIKeyMSAOJZCWFKPHES-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one

1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319036) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319036
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO2/c1-7(15)5-6-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3
InChIKeyMSAOJZCWFKPHES-UHFFFAOYSA-N
XLogP1.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319036) is 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one is CC(O)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MSAOJZCWFKPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-7(15)5-6-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one?
1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).