3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

C9H11F3N2O2 — CID 157041792

IUPAC3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-16-3-2-14-5-6(9(10,11)12)4-7(13)8(14)15/h4-5H,2-3,13H2,1H3
InChIKeyQLRQLXAZFWVLHT-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041792) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041792
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-16-3-2-14-5-6(9(10,11)12)4-7(13)8(14)15/h4-5H,2-3,13H2,1H3
InChIKeyQLRQLXAZFWVLHT-UHFFFAOYSA-N
XLogP1.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 47360137
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894327
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
[1-Ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 141393615
1-(2-Methoxyethyl)-3-nitro-5-(trifluoromethyl)pyridin-2-one
CID 157041838
3-Amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042169
3-Isothiocyanato-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042442
3-Amino-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042484

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (CID 157041792) is 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is COCCn1cc(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QLRQLXAZFWVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-16-3-2-14-5-6(9(10,11)12)4-7(13)8(14)15/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 236.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).