UUS

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

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

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of UUS

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Chemical Component Summary

Name4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)4-bromanyl-1-(2-hydroxyethyl)pyridin-2-one
FormulaC7 H8 Br N O2
Molecular Weight218.048
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1C(Br)=CC(N(C=1)CCO)=O
SMILESCACTVS3.385OCCN1C=CC(=CC1=O)Br
SMILESOpenEye OEToolkits2.0.7C1=CN(C(=O)C=C1Br)CCO
Canonical SMILESCACTVS3.385 OCCN1C=CC(=CC1=O)Br
Canonical SMILESOpenEye OEToolkits2.0.7 C1=CN(C(=O)C=C1Br)CCO
InChIInChI1.03 InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
InChIKeyInChI1.03 GQPBXJHZWYTNFM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 68738532