2-(ACETYLAMINO)-3-PYRIDYL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20384152

Structure

InChI Key IDZIZSUOFZCQBI-UHFFFAOYSA-N
Smiles CC(=O)NC1=C(C=CC=N1)OC(=O)C
InChI
InChI=1S/C9H10N2O3/c1-6(12)11-9-8(14-7(2)13)4-3-5-10-9/h3-5H,1-2H3,(H,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O3
Molecular Weight 194.07
AlogP 1.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 71.78
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 26372-53-2
NORMAN SUSDAT
PubChem 2800224
ChemSpider 2078950.0
CONTENTS