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289681-47-6 | 2(1H)-Pyridinone, 5-iodo-3-methyl-
CAS No: 289681-47-6 Catalog No: AG002V19 MDL No:MFCD20543087
Product Description
Catalog Number:
AG002V19
Chemical Name:
2(1H)-Pyridinone, 5-iodo-3-methyl-
CAS Number:
289681-47-6
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
MDL Number:
MFCD20543087
IUPAC Name:
5-iodo-3-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H6INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChI Key:
SMXYHYVNDWELHQ-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c[nH]c1=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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