2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone

C10H10F3NO3 — CID 138505365

IUPAC2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCOCC(=O)c1cc(C(F)(F)F)ncc1OC
InChIInChI=1S/C10H10F3NO3/c1-16-5-7(15)6-3-9(10(11,12)13)14-4-8(6)17-2/h3-4H,5H2,1-2H3
InChIKeyULZFCESOIHAUOY-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.94
Rot. Bonds4

About 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone

2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone (PubChem CID 138505365) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone
PubChem CID138505365
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCOCC(=O)c1cc(C(F)(F)F)ncc1OC
InChIInChI=1S/C10H10F3NO3/c1-16-5-7(15)6-3-9(10(11,12)13)14-4-8(6)17-2/h3-4H,5H2,1-2H3
InChIKeyULZFCESOIHAUOY-UHFFFAOYSA-N
XLogP1.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
CID 146010216
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118827482
5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
CID 121228606
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130116089
4-ethenyl-5-methoxy-2-(trifluoromethyl)pyridine
CID 130679623
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097179
4-methoxy-5-propyl-2-(trifluoromethyl)pyridine
CID 146203675
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 91882810
1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 138505355
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone (CID 138505365) is 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone is COCC(=O)c1cc(C(F)(F)F)ncc1OC.
What is the InChIKey of 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is ULZFCESOIHAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-5-7(15)6-3-9(10(11,12)13)14-4-8(6)17-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone?
2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 249.19 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 138505365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).