3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

C9H10F3NO3 — CID 154508416

IUPAC3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCOc1c(OCC(F)(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C9H10F3NO3/c1-5-3-13-8(14)7(15-2)6(5)16-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYUTAKKCDZPSQNI-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.63
Rot. Bonds3

About 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 154508416) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID154508416
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCOc1c(OCC(F)(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C9H10F3NO3/c1-5-3-13-8(14)7(15-2)6(5)16-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYUTAKKCDZPSQNI-UHFFFAOYSA-N
XLogP1.63
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (CID 154508416) is 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is COc1c(OCC(F)(F)F)c(C)c[nH]c1=O.
What is the InChIKey of 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is YUTAKKCDZPSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-5-3-13-8(14)7(15-2)6(5)16-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 237.18 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 154508416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).