Chem 2 Chloro 4 Methyl 3 Nitropyridine

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C6H5ClN2O2 MW=172.57
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    0.7544   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5697    0.0118   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2731    2.2632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8545    0.7662   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0176   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    3.0294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8427    2.2750   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5264   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438    2.2750   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    4.5382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8 01  0  1  0  0
M  CHG  1   6   1
M  CHG  1  10  -1
M  END

2-Chloro-4-Methyl-3-Nitropyridine

₹ 0.00 0.00

Chemical Name - 2-Chloro-4-Methyl-3-Nitropyridine
Mol Weight - 172.571
Smiles - Cc(ccnc1Cl)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	2-Chloro-4-Methyl-3-Nitropyridine
Molweight	172.571
Monoisotopic Mass	172.003955
Clogp	0.7844
Clogs	-2.124
H Acceptors	4
Total Surface Area	123.37
Relative Psa	0.33549
Polar Surface Area	58.71
Druglikeness	-7.0866
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.78637
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
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	Cc(ccnc1Cl)c1[N+]([O-])=O
InChIKey	InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChI	JHARVUVBTAAPLA-UHFFFAOYSA-N

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2-Chloro-4-Methyl-3-Nitropyridine