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

C7H6F3NO3 — CID 130092740

IUPAC5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3NO3/c1-13-4-2-5(6(12)11-3-4)14-7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyVKZXQJBYVUXJHM-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.28
Rot. Bonds2

About 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one

5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130092740) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130092740
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3NO3/c1-13-4-2-5(6(12)11-3-4)14-7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyVKZXQJBYVUXJHM-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 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130092740) is 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one is COc1c[nH]c(=O)c(OC(F)(F)F)c1.
What is the InChIKey of 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is VKZXQJBYVUXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-13-4-2-5(6(12)11-3-4)14-7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-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 5-methoxy-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130092740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).