R6X

6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

Created:	2022-06-21
Last modified:	2022-12-21

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1 entries where R6X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of R6X

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Chemical Component Summary
Name	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-bromanyl-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid
Formula	C₆ H₄ Br N O₄
Molecular Weight	234.004
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1=C(NC(Br)=CC1=O)C(=O)O
SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)C=C(Br)N1
SMILES	OpenEye OEToolkits	2.0.7	C1=C(NC(=C(C1=O)O)C(=O)O)Br
Canonical SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)C=C(Br)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=C(NC(=C(C1=O)O)C(=O)O)Br
InChI	InChI	1.06	InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)
InChIKey	InChI	1.06	PCMDXAXSHBWBAV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90702473

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