Flunixin , CAS No.38677-85-9

CAS: 38677-85-9 Cat. No.: F347999 Molecular Weight: 296.25 EC Number: 609-571-6

Synonyms

Flunixine | Flunixin 1000 microg/mL in Acetonitrile | flunixin-meglumin | Flunixinum | Flunixin [USAN] | Sch 14714 | BDBM50201618 | FT-0626444 | Banamine Transdermal | 2(2'-Methyl-3'-trifluoromethylanilino)nicotinic acid | 3-Pyridinecarboxylic acid, 2-[[2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Flunixine | Flunixin 1000 microg/mL in Acetonitrile | flunixin-meglumin | Flunixinum | Flunixin [USAN] | Sch 14714 | BDBM50201618 | FT-0626444 | Banamine Transdermal | 2(2'-Methyl-3'-trifluoromethylanilino)nicotinic acid | 3-Pyridinecarboxylic acid, 2-[[2

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
• IUPAC Name: 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
• InChIKey: NOOCSNJCXJYGPE-UHFFFAOYSA-N
• INCHI: 1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
• Isomeric SMILES: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 296.25
• Reaxy-Rn: 492802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=492802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Pyridinecarboxylic acids Aniline and substituted anilines Toluenes Aminopyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Secondary amines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyridine - Toluene - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: organofluorine compound - aminopyridine - pyridinemonocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THP-1 (11052 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U-937 (7138 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 163.66° C (Predicted)
• Molecular Weight: 296.240 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 296.077 Da
• Monoisotopic Mass: 296.077 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 376.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Guanqiong Na, Xiaofei Hu, Yaning Sun, Guangxu Xing, Yunrui Xing, Gaiping Zhang.  (2020)  A novel gold particle-based paper sensor for sensitively detecting carprofen in bovine muscle.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2020.1740178]

2. Kang Jiang, Linfang Lu, Jingwen Huang, Jiakun Hong, Yibai Che, Na Li, Xiaoli Li, Shaoze Wu, Zhoujie Xu, Wenjun Yang, Sumei Ling, Shihua Wang.  (2026)  Development of a lateral flow immunoassay for the on-site detection of Acifluorfen in agricultural products.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2026.117477]