1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one

C14H12F3NO2 — CID 134090232

IUPAC1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12F3NO2/c1-20-12-7-11(14(15,16)17)9-18(13(12)19)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyWTNJHOAVQDCSLD-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.92
Rot. Bonds3

About 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one

1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one (PubChem CID 134090232) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
PubChem CID134090232
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12F3NO2/c1-20-12-7-11(14(15,16)17)9-18(13(12)19)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyWTNJHOAVQDCSLD-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397
1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one
CID 122401259
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 71881599
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
2-benzyl-4-(3,4,5-trimethoxyanilino)isoquinolin-1-one
CID 76683748
1-benzyl-2-[3-chloro-2-(trifluoromethyl)phenyl]-5-methoxypyrimidin-4-one
CID 134565363
methyl 5-chloro-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 18526237
3-chloro-1-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 34964059
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-benzyl-3-methoxy-5-phenylpyrazin-2-one
CID 86053729
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one (CID 134090232) is 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one is COc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is WTNJHOAVQDCSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-20-12-7-11(14(15,16)17)9-18(13(12)19)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one?
1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).