Chem 3 2 Bromoacetylpyridine Hydrobromide Dsrpl

Compound 128
  CheckMol                        TMF02:r0:m0
MF=C7H7Br2NO MW=280.95
 11 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    2.2608   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    1.5308   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599    3.7680   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5434    4.5216   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5316    6.0288   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0589    6.0406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2246    6.7942   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1810    3.7680   -0.0000 Br  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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

3-(2-Bromoacetyl)pyridine Hydrobromide

₹ 0.00 0.00

Chemical Name - 3-(2-Bromoacetyl)pyridine Hydrobromide
Mol Weight - 200.035
Smiles - O=C(CBr)c1cnccc1.Br

Property Name	Property Value
Mol Name	3-(2-Bromoacetyl)pyridine Hydrobromide
Molweight	200.035
Monoisotopic Mass	198.963275
Clogp	0.8902
Clogs	-2.048
H Acceptors	2
Total Surface Area	122.16
Relative Psa	0.19655
Polar Surface Area	29.96
Druglikeness	-8.3351
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.41828
Molecular Complexity	0.65162
Fragments	2
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	O=C(CBr)c1cnccc1.Br
InChIKey	InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H
InChI	WDTSYONULAZKIE-UHFFFAOYSA-N

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3-(2-Bromoacetyl)pyridine Hydrobromide