Chem 2 Chloromethyl 34 Dimethoxy Pyridine Hcl Pacific

Compound 120
  CheckMol                        TMF02:r0:m0
MF=C8H11Cl2NO2 MW=224.09
 13 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    1.3059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235    2.6117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7176    3.9176   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5294    2.6235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    5.2235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2941    1.3412   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823    3.9294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5412    5.2352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5647    0.0588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882    3.9411   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5529    2.6588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    2.8235   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl

₹ 0.00 0.00

Chemical Name - 2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl
Mol Weight - 187.625
Smiles - COc(ccnc1CCl)c1OC.Cl

Property Name	Property Value
Mol Name	2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl
Molweight	187.625
Monoisotopic Mass	187.040006
Clogp	1.1068
Clogs	-1.999
H Acceptors	3
Total Surface Area	145.72
Relative Psa	0.21253
Polar Surface Area	31.35
Druglikeness	-1.7408
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.42151
Molecular Complexity	0.71278
Fragments	2
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Aromatic Nitrogens	1
Smiles	COc(ccnc1CCl)c1OC.Cl
InChIKey	InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H
InChI	YYRIKJFWBIEEDH-UHFFFAOYSA-N

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1 - 2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl
2 - 2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl

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2-Chloromethyl-3,4-Dimethoxy Pyridine Hcl