1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one

C8H9F3N2O — CID 63279488

IUPAC1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESNCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,3-4,12H2
InChIKeyYSJDHGBOSZWUFY-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.83
Rot. Bonds2

About 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279488) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279488
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESNCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,3-4,12H2
InChIKeyYSJDHGBOSZWUFY-UHFFFAOYSA-N
XLogP0.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one (CID 63279488) is 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one is NCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is YSJDHGBOSZWUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,3-4,12H2.
What are the key properties of 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).