1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one

C13H10F3NO2 — CID 159591904

IUPAC1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESO=c1ccccn1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-6-2-1-5-10(11)9-19-17-8-4-3-7-12(17)18/h1-8H,9H2
InChIKeyMKISLAGCZAZHOA-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.50
Rot. Bonds3

About 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one

1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (PubChem CID 159591904) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
PubChem CID159591904
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESO=c1ccccn1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-6-2-1-5-10(11)9-19-17-8-4-3-7-12(17)18/h1-8H,9H2
InChIKeyMKISLAGCZAZHOA-UHFFFAOYSA-N
XLogP2.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (CID 159591904) is 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is O=c1ccccn1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The InChIKey is MKISLAGCZAZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)11-6-2-1-5-10(11)9-19-17-8-4-3-7-12(17)18/h1-8H,9H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is sourced from PubChem (CID 159591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).