QXW

5,6-dibromo-1H-triazolo[4,5-b]pyridine

Created:	2020-08-19
Last modified:	2021-03-13

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2 entries where QXW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	10

2D diagram of QXW

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Chemical Component Summary
Name	5,6-dibromo-1H-triazolo[4,5-b]pyridine
Synonyms	5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Systematic Name (OpenEye OEToolkits)	5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula	C₅ H₂ Br₂ N₄
Molecular Weight	277.904
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1cc2[nH]nnc2nc1Br
SMILES	OpenEye OEToolkits	2.0.7	c1c2c(nc(c1Br)Br)nn[nH]2
Canonical SMILES	CACTVS	3.385	Brc1cc2[nH]nnc2nc1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2c(nc(c1Br)Br)nn[nH]2
InChI	InChI	1.03	InChI=1S/C5H2Br2N4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)
InChIKey	InChI	1.03	WKRYLZOTKJYHJM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155289308

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