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2-(Trifluoromethoxy)isonicotinic acid - ≥95%, high purity , CAS No.1221171-98-7

COA

Grade & Purity:

≥95%

Cas Number: 1221171-98-7
Molecular Weight: 207.11
PubChem CID: 49871140

In stock

Item Number

I733032

Grouped product items
SKU	Size	Availability	Price
I733032-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$847.90
I733032-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,354.90
I733032-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,389.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Heteroaromatic compounds Trihalomethanes Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Heteroaromatic compound - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors	Not available
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-(trifluoromethoxy)pyridine-4-carboxylic acid
INCHI	InChI=1S/C7H4F3NO3/c8-7(9,10)14-5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChIKey	PGAJZMZZYBMULE-UHFFFAOYSA-N
Smiles	C1=CN=C(C=C1C(=O)O)OC(F)(F)F
Isomeric SMILES	C1=CN=C(C=C1C(=O)O)OC(F)(F)F
PubChem CID	49871140
Molecular Weight	207.11

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.110 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	207.014 Da
Monoisotopic Mass	207.014 Da
Topological Polar Surface Area	59.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219.000
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

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