1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one

C9H10F3NO2 — CID 58450389

IUPAC1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one
SMILESCOC(c1ccc(=O)n(C)c1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h3-5,8H,1-2H3
InChIKeyKZUZKZINCUNAIP-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.64
Rot. Bonds2

About 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one

1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one (PubChem CID 58450389) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one
PubChem CID58450389
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one
SMILESCOC(c1ccc(=O)n(C)c1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h3-5,8H,1-2H3
InChIKeyKZUZKZINCUNAIP-UHFFFAOYSA-N
XLogP1.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one (CID 58450389) is 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one is COC(c1ccc(=O)n(C)c1)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one?
The InChIKey is KZUZKZINCUNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h3-5,8H,1-2H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one?
1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 58450389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).