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CAS Number: 887579-62-6
5-cyanonicotinic acid

Structure

5-cyanonicotinic acid
Name: 5-cyanonicotinic acid
Synonyms:
General Information
Product Number: 887579626

CAS Registry Number 887579-62-6
Name:
3-​Pyridinecarboxylic acid, 5-​cyano-
5-Cyanonicotinic acid
5-Cyanopyridine-3-carboxylic acid

 

Chemical Formula: C7H4N2O2
Exact Mass: 148.03
Molecular Weight: 148.12
m/z: 148.03 (100.0%), 149.03 (7.7%)

 

InChI:InChI=1S/C7H4N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4H,(H,10,11)

InChI Key:YLVWEUCOZIMGPV-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=NC=C1C(=O)O)C#N

Specification

98%

References
  1. (1) Sato, Nagaaki; Journal of Medicinal Chemistry 2009, V52(10), P3385-3396 CAPLUS
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