2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

C9H10F3NO2 — CID 11658612

IUPAC2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCCc1[nH]c(C(F)(F)F)cc(=O)c1OC
InChIInChI=1S/C9H10F3NO2/c1-3-5-8(15-2)6(14)4-7(13-5)9(10,11)12/h4H,3H2,1-2H3,(H,13,14)
InChIKeyRBAKJBKZZWEACZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.96
Rot. Bonds2

About 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 11658612) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID11658612
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCCc1[nH]c(C(F)(F)F)cc(=O)c1OC
InChIInChI=1S/C9H10F3NO2/c1-3-5-8(15-2)6(14)4-7(13-5)9(10,11)12/h4H,3H2,1-2H3,(H,13,14)
InChIKeyRBAKJBKZZWEACZ-UHFFFAOYSA-N
XLogP1.96
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (CID 11658612) is 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is CCc1[nH]c(C(F)(F)F)cc(=O)c1OC.
What is the InChIKey of 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is RBAKJBKZZWEACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-3-5-8(15-2)6(14)4-7(13-5)9(10,11)12/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 221.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 11658612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).