Chem 5 5 Bromo 3 Pyridyl 1h 1234 Tetrazole AlkaliMetal

Compound 260
  CheckMol                        TMF02:r0:m0
MF=C6H4BrN5 MW=226.04
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2776   -2.2359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.2240   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2658   -3.7265   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3368   -3.7146   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4717   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6499   -4.4599   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0340   -3.8329   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8155   -5.9387   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0514   -4.9331   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2943   -6.2344   -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
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  6  8  1  0  0  0  0
  8  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
  6  7 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

5-[5-Bromo-3-Pyridyl]-1h-1,2,3,4-Tetrazole

₹ 0.00 0.00

Chemical Name - 5-[5-Bromo-3-Pyridyl]-1h-1,2,3,4-Tetrazole
Mol Weight - 226.037
Smiles - Brc1cncc(-c2nnn[nH]2)c1

Property Name	Property Value
Mol Name	5-[5-Bromo-3-Pyridyl]-1h-1,2,3,4-Tetrazole
Molweight	226.037
Monoisotopic Mass	224.965006
Clogp	0.6503
Clogs	-2.937
H Acceptors	5
H Donors	1
Total Surface Area	136.26
Relative Psa	0.4247
Polar Surface Area	67.35
Druglikeness	-1.9219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.35136
Molecular Complexity	0.70568
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	5
Smiles	Brc1cncc(-c2nnn[nH]2)c1
InChIKey	InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChI	XJGDASCALCDOQH-UHFFFAOYSA-N

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5-[5-Bromo-3-Pyridyl]-1h-1,2,3,4-Tetrazole