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651778-59-5

651778-59-5 | 2(1H)-Pyridinone, 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-

CAS No: 651778-59-5 Catalog No: AG00H7AI MDL No:

Product Description

Catalog Number:
AG00H7AI
Chemical Name:
2(1H)-Pyridinone, 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-
CAS Number:
651778-59-5
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C16H19NO2/c1-5-14-12(4)17-16(18)9-15(14)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18)
InChI Key:
UDBNRWYIGALRQV-UHFFFAOYSA-N
SMILES:
CCc1c(Oc2cc(C)cc(c2)C)cc(=O)[nH]c1C

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
Structure-activity relationship in the 3-iodo-4-phenoxypyridinone (IOPY) series: The nature of the C-3 substituent on anti-HIV activity. Bioorganic & medicinal chemistry letters 20070201
3-iodo-4-phenoxypyridinones (IOPY's), a new family of highly potent non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorganic & medicinal chemistry letters 20031215

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