3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

C14H12F3NO2 — CID 121234326

IUPAC3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCc1c(C(F)(F)F)c(-c2ccccc2)c[nH]c1=O
InChIInChI=1S/C14H12F3NO2/c1-20-8-11-12(14(15,16)17)10(7-18-13(11)19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPXPKCJBSKGQLJJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.21
Rot. Bonds3

About 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 121234326) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID121234326
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCc1c(C(F)(F)F)c(-c2ccccc2)c[nH]c1=O
InChIInChI=1S/C14H12F3NO2/c1-20-8-11-12(14(15,16)17)10(7-18-13(11)19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPXPKCJBSKGQLJJ-UHFFFAOYSA-N
XLogP3.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
CID 66915096
2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole
CID 66914798
4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one
CID 170678047
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
3-[(E,2S,3S)-1,3-dihydroxy-2,4-dimethylhex-4-en-2-yl]-4-hydroxy-5-phenyl-1H-pyridin-2-one
CID 54682865
[2-(methoxymethyl)phenyl]methyl trifluoromethanesulfonate
CID 102621545
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 154453908
methyl 3-phenyl-1H-indole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 131731077
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 121234326) is 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is COCc1c(C(F)(F)F)c(-c2ccccc2)c[nH]c1=O.
What is the InChIKey of 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PXPKCJBSKGQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-20-8-11-12(14(15,16)17)10(7-18-13(11)19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 121234326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).