3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one

C8H9F3N2O — CID 84008555

IUPAC3-amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
SMILESCCN1C=C(C=C(C1=O)N)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-2-13-4-5(8(9,10)11)3-6(12)7(13)14/h3-4H,2,12H2,1H3
InChIKeyQGXNVFKAEFBQGI-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.70
Rot. Bonds1

About 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one

3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 84008555) has the molecular formula C8H9F3N2O and a molecular weight of 206.16 g/mol. Its IUPAC name is 3-amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID84008555
Molecular FormulaC8H9F3N2O
Molecular Weight206.16 g/mol
Exact Mass206.07
IUPAC Name3-amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
SMILESCCN1C=C(C=C(C1=O)N)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-2-13-4-5(8(9,10)11)3-6(12)7(13)14/h3-4H,2,12H2,1H3
InChIKeyQGXNVFKAEFBQGI-UHFFFAOYSA-N
XLogP0.70
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity317

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 2315787
N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871946
3-Amino-1-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 84008554
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
2,2,2-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019890
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 137942513
1-(2-Aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 63279488
2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72046371
3-Amino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926409

Frequently Asked Questions

What is the IUPAC name of 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one (CID 84008555) is 3-amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one is CCN1C=C(C=C(C1=O)N)C(F)(F)F.
What is the InChIKey of 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QGXNVFKAEFBQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-13-4-5(8(9,10)11)3-6(12)7(13)14/h3-4H,2,12H2,1H3.
What are the key properties of 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one?
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 84008555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).