Chem 5 Bromo 4 Methyl 34 Bipyridine Dsrpl

Compound 268
  CheckMol                        TMF02:r0:m0
MF=C11H9BrN2 MW=249.11
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043   -0.7285   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6085    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3160   -2.2090   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9128   -0.6933   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6203    1.5393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203   -2.9375   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2170    0.0705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9245   -2.1738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2288    1.5745   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5213   -0.6580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5330    2.3383   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8255    0.1058   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8373    1.6098   -0.0000 N   0 00  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
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  5  9 02  0  1  0  0
  8 10 02  0  1  0  0
  8 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
  7  9 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

5-bromo-4-methyl-3,4-bipyridine

₹ 0.00 0.00

Chemical Name - 5-bromo-4-methyl-3,4-bipyridine
Mol Weight - 249.11
Smiles - Cc(c(-c1ccncc1)cnc1)c1Br

Property Name	Property Value
Mol Name	5-bromo-4-methyl-3,4-bipyridine
Molweight	249.11
Monoisotopic Mass	247.994909
Clogp	2.3861
Clogs	-3.29
H Acceptors	2
Total Surface Area	161.43
Relative Psa	0.13591
Polar Surface Area	25.78
Druglikeness	-3.67
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.33808
Molecular Complexity	0.65055
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	2
Smiles	Cc(c(-c1ccncc1)cnc1)c1Br
InChIKey	InChI=1S/C11H9BrN2/c1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9/h2-7H,1H3
InChI	NNIIWWUEQIMBRN-UHFFFAOYSA-N

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5-bromo-4-methyl-3,4-bipyridine