QX2

5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine

Created: 2020-08-18
Last modified:  2020-12-09

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count15
Aromatic Bond Count10
2D diagram of QX2

Chemical Component Summary

Name5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine
Systematic Name (OpenEye OEToolkits)5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine
FormulaC6 H2 Br3 N3
Molecular Weight355.812
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Brc1nc2nc[nH]c2c(Br)c1Br
SMILESOpenEye OEToolkits2.0.7c1[nH]c2c(c(c(nc2n1)Br)Br)Br
Canonical SMILESCACTVS3.385 Brc1nc2nc[nH]c2c(Br)c1Br
Canonical SMILESOpenEye OEToolkits2.0.7 c1[nH]c2c(c(c(nc2n1)Br)Br)Br
InChIInChI1.03 InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12)
InChIKeyInChI1.03 CBZSQDLGIDEXNY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155289311