5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

C9H11F3N2O2 — CID 79355031

IUPAC5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESCc1cc(=O)n(CCOC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O2/c1-6-4-8(15)14(5-7(6)13)2-3-16-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyQVKAUKUUBPTGAV-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (PubChem CID 79355031) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
PubChem CID79355031
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESCc1cc(=O)n(CCOC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O2/c1-6-4-8(15)14(5-7(6)13)2-3-16-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyQVKAUKUUBPTGAV-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-Tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90395510
1-Methyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90397004
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
3-Amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 157041792
3-Amino-1-(2-butoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 169878044
N-[4-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]formamide
CID 174933839
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
5-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65803656
3-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65804974

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (CID 79355031) is 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is Cc1cc(=O)n(CCOC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is QVKAUKUUBPTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-6-4-8(15)14(5-7(6)13)2-3-16-9(10,11)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one has a molecular weight of 236.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 79355031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).