4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one

C13H13ClN2O2S — CID 148950779

IUPAC4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one
SMILESNc1cc(SCCOc2ccc(Cl)cc2)[nH]c(=O)c1
InChIInChI=1S/C13H13ClN2O2S/c14-9-1-3-11(4-2-9)18-5-6-19-13-8-10(15)7-12(17)16-13/h1-4,7-8H,5-6H2,(H3,15,16,17)
InChIKeyPPXAOGHSGLWMBZ-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.78
Rot. Bonds5

About 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one

4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one (PubChem CID 148950779) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one
PubChem CID148950779
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one
SMILESNc1cc(SCCOc2ccc(Cl)cc2)[nH]c(=O)c1
InChIInChI=1S/C13H13ClN2O2S/c14-9-1-3-11(4-2-9)18-5-6-19-13-8-10(15)7-12(17)16-13/h1-4,7-8H,5-6H2,(H3,15,16,17)
InChIKeyPPXAOGHSGLWMBZ-UHFFFAOYSA-N
XLogP2.78
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chlorophenyl)sulfanylethoxy]aniline
CID 43174483
4-amino-2-[3-(4-chlorophenoxy)propylsulfanyl]-1H-pyrimidin-6-one
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4-amino-2-[4-(4-chlorophenoxy)butylsulfanyl]-1H-pyrimidin-6-one
CID 136685962
2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136684367
2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136685686
4-[2-(2,5-dichlorophenyl)sulfanylethoxy]aniline
CID 43366280
4-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]aniline
CID 79525137
2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine
CID 2184843
2-(4-chlorophenoxy)ethyl N'-aminocarbamimidothioate
CID 77059870
4-[2-(4-chlorophenyl)sulfanylethoxy]benzoic acid
CID 20992125
4-chloro-2-[3-(4-fluorophenoxy)propylsulfanyl]aniline
CID 79528813
2-[4-[2-(4-chlorophenoxy)ethylsulfanyl]phenyl]acetic acid
CID 64928357

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one?
The IUPAC name of 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one (CID 148950779) is 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one?
The canonical SMILES for 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one is Nc1cc(SCCOc2ccc(Cl)cc2)[nH]c(=O)c1.
What is the InChIKey of 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one?
The InChIKey is PPXAOGHSGLWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-9-1-3-11(4-2-9)18-5-6-19-13-8-10(15)7-12(17)16-13/h1-4,7-8H,5-6H2,(H3,15,16,17).
What are the key properties of 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one?
4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one has a molecular weight of 296.78 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-pyridin-2-one is sourced from PubChem (CID 148950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).