T6U

(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one

Created:	2022-07-19
Last modified:	2022-12-21

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1 entries where T6U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	5

2D diagram of T6U

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Chemical Component Summary
Name	(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	6-bromanyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-oxidanyl-1~{H}-pyridin-4-one
Formula	C₈ H₆ Br N₃ O₃
Molecular Weight	272.056
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1=C(NC(Br)=CC1=O)c1nc(C)on1
SMILES	CACTVS	3.385	Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O
Canonical SMILES	CACTVS	3.385	Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O
InChI	InChI	1.06	InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)
InChIKey	InChI	1.06	VCOZTCCRJIGBLQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166175747

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