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651778-61-9 | 2(1H)-Pyridinone, 5-ethyl-3-iodo-6-methyl-4-phenoxy-
CAS No: 651778-61-9 Catalog No: AG00H7AH MDL No:
Product Description
Catalog Number:
AG00H7AH
Chemical Name:
2(1H)-Pyridinone, 5-ethyl-3-iodo-6-methyl-4-phenoxy-
CAS Number:
651778-61-9
Molecular Formula:
C14H14INO2
Molecular Weight:
355.1709
IUPAC Name:
5-ethyl-3-iodo-6-methyl-4-phenoxy-1H-pyridin-2-one
InChI:
InChI=1S/C14H14INO2/c1-3-11-9(2)16-14(17)12(15)13(11)18-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,17)
InChI Key:
WNSAULXOYQMRQI-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c(=O)c(c1Oc1ccccc1)I
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.175g/mol
Monoisotopic Mass:
355.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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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