3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

C9H11F3N2O2 — CID 62102937

IUPAC3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESNc1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-5-4-14-3-1-2-7(13)8(14)15/h1-3H,4-6,13H2
InChIKeyZEDRVSMEPOTSPG-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.01
Rot. Bonds4

About 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (PubChem CID 62102937) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
PubChem CID62102937
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESNc1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-5-4-14-3-1-2-7(13)8(14)15/h1-3H,4-6,13H2
InChIKeyZEDRVSMEPOTSPG-UHFFFAOYSA-N
XLogP1.01
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 10035571
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
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3-Amino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926409
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyridin-2-one
CID 75501841
[2-(3-Amino-2-oxo-1-pyridinyl)acetyl] 2,2,2-trifluoroacetate
CID 87152487
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
3-Amino-5-fluoro-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 130269256
3-Amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 157041792
N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 167238340
3-Amino-1-(2-butoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 169878044
5-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
CID 43259844
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (CID 62102937) is 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is Nc1cccn(CCOCC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The InChIKey is ZEDRVSMEPOTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-5-4-14-3-1-2-7(13)8(14)15/h1-3H,4-6,13H2.
What are the key properties of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one has a molecular weight of 236.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 62102937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).