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

C8H9F3N2OS — CID 116615846

IUPAC3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1cccn(CCSC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)15-5-4-13-3-1-2-6(12)7(13)14/h1-3H,4-5,12H2
InChIKeyPCYFWUCTSOFJBN-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.68
Rot. Bonds3

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

3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (PubChem CID 116615846) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
PubChem CID116615846
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1cccn(CCSC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)15-5-4-13-3-1-2-6(12)7(13)14/h1-3H,4-5,12H2
InChIKeyPCYFWUCTSOFJBN-UHFFFAOYSA-N
XLogP1.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
CID 62101459
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
3-Amino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926409
3-Amino-1-(4,4,4-trifluorobutyl)-1,2-dihydropyridin-2-one
CID 115513885
2-(2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 45825246
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55955300
3-Amino-1-(3,3,3-trifluoropropyl)-1,2-dihydropyridin-2-one
CID 64554831
2-tert-butylsulfanyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
CID 71971516
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425307
1-[2-[2-(Trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one
CID 106429026
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-2-carboxamide
CID 107261796
5-Amino-1-{2-[(trifluoromethyl)sulfanyl]ethyl}-1,2-dihydropyridin-2-one
CID 116615829

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (CID 116615846) is 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is Nc1cccn(CCSC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The InChIKey is PCYFWUCTSOFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)15-5-4-13-3-1-2-6(12)7(13)14/h1-3H,4-5,12H2.
What are the key properties of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one has a molecular weight of 238.23 g/mol, XLogP of 1.68, 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-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is sourced from PubChem (CID 116615846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).