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60154-05-4 | 5-Iodo-1-methylpyridin-2(1H)-one
CAS No: 60154-05-4 Catalog No: AG003ACC MDL No:
Product Description
Catalog Number:
AG003ACC
Chemical Name:
5-Iodo-1-methylpyridin-2(1H)-one
CAS Number:
60154-05-4
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
IUPAC Name:
5-iodo-1-methylpyridin-2-one
InChI:
InChI=1S/C6H6INO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChI Key:
RTQZQBKEGAUQLR-UHFFFAOYSA-N
SMILES:
Ic1ccc(=O)n(c1)C
Properties
Complexity:
195
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:
0
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. | Journal of medicinal chemistry 20081113 |
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