UUS

4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one

Created:	2020-06-02
Last modified:	2020-06-17

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4 entries where UUS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of UUS

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Chemical Component Summary
Name	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	4-bromanyl-1-(2-hydroxyethyl)pyridin-2-one
Formula	C₇ H₈ Br N O₂
Molecular Weight	218.048
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=1C(Br)=CC(N(C=1)CCO)=O
SMILES	CACTVS	3.385	OCCN1C=CC(=CC1=O)Br
SMILES	OpenEye OEToolkits	2.0.7	C1=CN(C(=O)C=C1Br)CCO
Canonical SMILES	CACTVS	3.385	OCCN1C=CC(=CC1=O)Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=CN(C(=O)C=C1Br)CCO
InChI	InChI	1.03	InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
InChIKey	InChI	1.03	GQPBXJHZWYTNFM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68738532

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