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

C7H6F3NO2 — CID 69022654

IUPAC3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(F)(F)F)[nH]ccc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3-11-6(5)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyREXOLJLGWUTEIJ-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.40
Rot. Bonds1

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

3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 69022654) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID69022654
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(F)(F)F)[nH]ccc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3-11-6(5)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyREXOLJLGWUTEIJ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one (CID 69022654) is 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one is COc1c(C(F)(F)F)[nH]ccc1=O.
What is the InChIKey of 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is REXOLJLGWUTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3-11-6(5)7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 193.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 69022654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).