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

C7H6F3NO2 — CID 118849826

IUPAC2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-4-6(13-7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12)
InChIKeyFYFBBOYGRDANKO-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.58
Rot. Bonds1

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

2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118849826) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118849826
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-4-6(13-7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12)
InChIKeyFYFBBOYGRDANKO-UHFFFAOYSA-N
XLogP1.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118849826) is 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is FYFBBOYGRDANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-4-6(13-7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 193.12 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118849826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).