2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one

C14H12F3NO2 — CID 169249883

IUPAC2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one
SMILESCOc1c(-c2cc(=O)cc(C)[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-8-6-9(19)7-12(18-8)10-4-3-5-11(13(10)20-2)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyBCUWQJPPFFCLCG-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.38
Rot. Bonds2

About 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one

2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one (PubChem CID 169249883) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one
PubChem CID169249883
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one
SMILESCOc1c(-c2cc(=O)cc(C)[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-8-6-9(19)7-12(18-8)10-4-3-5-11(13(10)20-2)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyBCUWQJPPFFCLCG-UHFFFAOYSA-N
XLogP3.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250104
4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586809
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250098
4-[6-fluoro-2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585510
6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472847
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-methoxy-3-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 90706867
2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole
CID 126500062
1-chloro-1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-one
CID 170837607
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
CID 174564104

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one (CID 169249883) is 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one is COc1c(-c2cc(=O)cc(C)[nH]2)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one?
The InChIKey is BCUWQJPPFFCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-8-6-9(19)7-12(18-8)10-4-3-5-11(13(10)20-2)14(15,16)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one?
2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one has a molecular weight of 283.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169249883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).