3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 105475199

IUPAC3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C9H11F3N2O/c1-2-14-7(9(10,11)12)4-3-6(5-13)8(14)15/h3-4H,2,5,13H2,1H3
InChIKeyQPRYUCUZCVNTCB-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.35
Rot. Bonds2

About 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 105475199) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID105475199
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C9H11F3N2O/c1-2-14-7(9(10,11)12)4-3-6(5-13)8(14)15/h3-4H,2,5,13H2,1H3
InChIKeyQPRYUCUZCVNTCB-UHFFFAOYSA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one (CID 105475199) is 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is QPRYUCUZCVNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-2-14-7(9(10,11)12)4-3-6(5-13)8(14)15/h3-4H,2,5,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-ethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105475199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).