Chem 23 Dimethyl 4 Nitropyridine N Oxide AlkaliMetal

Compound 255
  CheckMol                        TMF02:r0:m0
MF=C7H8N2O3 MW=168.15
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4964   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301   -2.2445   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -2.2445   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2707   -3.7409   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.4726   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5652   -4.4772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4891   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715   -2.2208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8597   -3.7171   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5533   -5.9736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.4653   -0.0000 O   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
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END

2,3-Dimethyl-4-Nitropyridine-N-Oxide

₹ 0.00 0.00

Chemical Name - 2,3-Dimethyl-4-Nitropyridine-N-Oxide
Mol Weight - 168.152
Smiles - Cc(c(C)[n+](cc1)[O-])c1[N+]([O-])=O

Property Name	Property Value
Mol Name	2,3-Dimethyl-4-Nitropyridine-N-Oxide
Molweight	168.152
Monoisotopic Mass	168.053493
Clogp	0.0034
Clogs	-4.377
H Acceptors	5
Total Surface Area	123.5
Relative Psa	0.36178
Polar Surface Area	71.28
Druglikeness	-7.6962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.33783
Molecular Complexity	0.71508
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Aromatic Nitrogens	1
Acidic Oxygens	2
Smiles	Cc(c(C)[n+](cc1)[O-])c1[N+]([O-])=O
InChIKey	InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
InChI	CFMTVTYBZMKULI-UHFFFAOYSA-N

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2,3-Dimethyl-4-Nitropyridine-N-Oxide