6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C14H12F3NO2 — CID 106519859

IUPAC6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1
InChIInChI=1S/C14H12F3NO2/c1-2-20-11-5-3-4-9(6-11)12-7-10(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyLMUHGBNYEPRGGX-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.46
Rot. Bonds3

About 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106519859) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106519859
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1
InChIInChI=1S/C14H12F3NO2/c1-2-20-11-5-3-4-9(6-11)12-7-10(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyLMUHGBNYEPRGGX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
CID 53222024
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106519859) is 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is CCOc1cccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LMUHGBNYEPRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-2-20-11-5-3-4-9(6-11)12-7-10(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106519859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).