Chem N 5 Nitro 2 Pyridyl Acetamide AlkaliMetal

Compound 268
  CheckMol                        TMF02:r0:m0
MF=C7H7N3O3 MW=181.15
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2952   -0.7367   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -2.2339   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5903    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5784    1.5447   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8855   -0.7129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8736    2.3051   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1806    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1688    1.5566   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4639    2.3170   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7591    1.5803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    0.0832   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    2.3408   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

N-[5-Nitro-2-Pyridyl] Acetamide

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Chemical Name - N-[5-Nitro-2-Pyridyl] Acetamide
Mol Weight - 181.151
Smiles - CC(Nc(cc1)ncc1[N+]([O-])=O)=O

Property Name	Property Value
Mol Name	N-[5-Nitro-2-Pyridyl] Acetamide
Molweight	181.151
Monoisotopic Mass	181.048742
Clogp	-0.2078
Clogs	-2.148
H Acceptors	6
H Donors	1
Total Surface Area	137.16
Relative Psa	0.48039
Polar Surface Area	87.81
Druglikeness	-4.725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.42771
Molecular Complexity	0.66172
Fragments	1
Non H Atoms	13
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Amides	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	CC(Nc(cc1)ncc1[N+]([O-])=O)=O
InChIKey	InChI=1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11)
InChI	XKAASKOXADTLIG-UHFFFAOYSA-N

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N-[5-Nitro-2-Pyridyl] Acetamide