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14529-54-5 | 2(1H)-Pyridinone, 3,5-dibromo-1-methyl-
CAS No: 14529-54-5 Catalog No: AG001KRL MDL No:MFCD00464328
Product Description
Catalog Number:
AG001KRL
Chemical Name:
2(1H)-Pyridinone, 3,5-dibromo-1-methyl-
CAS Number:
14529-54-5
Molecular Formula:
C6H5Br2NO
Molecular Weight:
266.9180
MDL Number:
MFCD00464328
IUPAC Name:
3,5-dibromo-1-methylpyridin-2-one
InChI:
InChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChI Key:
AOJAJTJZSBVNPU-UHFFFAOYSA-N
SMILES:
Brc1cn(C)c(=O)c(c1)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.872g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.92g/mol
Monoisotopic Mass:
264.874g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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