2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H6F3NO3 — CID 118849825

IUPAC2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-13-6-5(14-7(8,9)10)4(12)2-3-11-6/h2-3H,1H3,(H,11,12)
InChIKeyZTDMQDVENPGVEA-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.28
Rot. Bonds2

About 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one

2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118849825) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118849825
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-13-6-5(14-7(8,9)10)4(12)2-3-11-6/h2-3H,1H3,(H,11,12)
InChIKeyZTDMQDVENPGVEA-UHFFFAOYSA-N
XLogP1.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118849825) is 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one is COc1[nH]ccc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is ZTDMQDVENPGVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-13-6-5(14-7(8,9)10)4(12)2-3-11-6/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 209.12 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118849825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).