6J3

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid

Created:	2016-05-25
Last modified:	2016-10-05

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2 entries where 6J3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 6J3

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Chemical Component Summary
Name	2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid
Formula	C₁₃ H₁₁ Cl N₂ O₂
Molecular Weight	262.692
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c(Cl)cccc1Nc2ncccc2C(O)=O
SMILES	OpenEye OEToolkits	2.0.5	Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1c(Cl)cccc1Nc2ncccc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O
InChI	InChI	1.03	InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKey	InChI	1.03	CLOMYZFHNHFSIQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB09218
Name	Clonixin
Groups	experimental
Description	Clonixin is a non-steroidal anti-inflammatory drug.
Synonyms	Clonixin lysine clonixino Clonixin
Indication	Indicated for use in the management of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation.
Categories	Agents causing hyperkalemia Agents that produce hypertension Amino Acids Amino Acids, Basic Amino Acids, Diamino Amino Acids, Peptides, and Proteins Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antirheumatic Agents Nephrotoxic agents Nicotinic Acids Non COX-2 selective NSAIDS Peripheral Nervous System Agents Pyridines Sensory System Agents
CAS number	17737-65-4

Related Resource References

Resource Name	Reference
PubChem	28718
ChEMBL	CHEMBL1332971
ChEBI	CHEBI:76200
CCDC/CSD	ZINPEU01, BIXGIY06, ZINPEU, FITBIW, BIXGIY05, TONHIQ, TONGUB, BIXGIY, TONHAI, TONGOV, TONHEM, BIXGIY02, AYIKUR

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.