-ISIS-  08091621332D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.9958    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <ID> (BBL000142)
BBL000142

>  <Rotatable_Bonds> (BBL000142)
0

>  <logP> (BBL000142)
2.519

>  <PSA> (BBL000142)
38.91

>  <H_Donors> (BBL000142)
2

>  <H_Acceptors> (BBL000142)
0

>  <Number_of_rings> (BBL000142)
1

>  <NAME> (BBL000142)
5-iodo-6-methylpyridin-2-amine

>  <Mol_Weight> (BBL000142)
234.04

>  <Mol_Formula> (BBL000142)
C6H7IN2

>  <Smiles> (BBL000142)
Nc1ccc(c(n1)C)I

>  <CAS_Number> (BBL000142)
75073-11-9

>  <Alternative_identifier> (BBL000142)
MFCD04138418

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