1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one

C10H12F3NO3 — CID 103777999

IUPAC1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCOCC(O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO3/c1-17-6-7(15)5-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3
InChIKeyAPFSPOQTYAABFS-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 103777999) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID103777999
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCOCC(O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO3/c1-17-6-7(15)5-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3
InChIKeyAPFSPOQTYAABFS-UHFFFAOYSA-N
XLogP0.87
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one (CID 103777999) is 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one is COCC(O)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is APFSPOQTYAABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-17-6-7(15)5-14-8(10(11,12)13)3-2-4-9(14)16/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 251.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103777999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).