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CHEBI:73179 - 2,6-dichloroisonicotinic acid

Default Structure
ChEBI IDCHEBI:73179
ChEBI Name2,6-dichloroisonicotinic acid
Stars
DefinitionA member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6.
Last Modified18 March 2014
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC6H3Cl2NO2
Net Charge0
Average Mass192.001
Monoisotopic Mass190.95408
SMILESO=C(O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChIKeySQSYNRCXIZHKAI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor  An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11).
ChEBI Ontology
Outgoing Relation(s)
2,6-dichloroisonicotinic acid (CHEBI:73179) has role EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor (CHEBI:73181)
2,6-dichloroisonicotinic acid (CHEBI:73179) is a monocarboxylic acid (CHEBI:25384)
2,6-dichloroisonicotinic acid (CHEBI:73179) is a organochlorine compound (CHEBI:36683)
2,6-dichloroisonicotinic acid (CHEBI:73179) is a pyridines (CHEBI:26421)
IUPAC Names 
2,6-dichloroisonicotinic acid
2,6-dichloropyridine-4-carboxylic acid
Synonyms  Source
2,6-dichloro-4-pyridinecarboxylic acidChEBI
INAChEBI
Registry NumbersSources
Reaxys:383737Reaxys
CAS:5398-44-7ChemIDplus
Citations