Chem 2 Methyl 4 Nitropyridine Dsrpl

Compound 82
  CheckMol                        TMF02:r0:m0
MF=C6H6N2O2 MW=138.13
 10 10  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   -1.4974   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -2.2462   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2462   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2716   -3.7436   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5789   -1.4737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5670   -4.4804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.2224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8625   -3.7198   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5552   -5.9779   -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
  7 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2-Methyl-4-nitropyridine

₹ 0.00 0.00

Chemical Name - 2-Methyl-4-nitropyridine
Mol Weight - 138.126
Smiles - Cc1nccc([N+]([O-])=O)c1

Property Name	Property Value
Mol Name	2-Methyl-4-nitropyridine
Molweight	138.126
Monoisotopic Mass	138.042928
Clogp	0.135
Clogs	-1.649
H Acceptors	4
Total Surface Area	107.95
Relative Psa	0.38342
Polar Surface Area	58.71
Druglikeness	-7.3002
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.3819
Molecular Complexity	0.61821
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	Cc1nccc([N+]([O-])=O)c1
InChIKey	InChI=1S/C6H6N2O2/c1-5-4-6(8(9)10)2-3-7-5/h2-4H,1H3
InChI	HWPIDHRDNNZJSY-UHFFFAOYSA-N

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2-Methyl-4-nitropyridine