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3-((2-Fluoro-4-iodophenyl)amino)isonicotinic acid - ≥95%, high purity , CAS No.885588-03-4

COA

Grade & Purity:

≥95%

Cas Number: 885588-03-4
Molecular Weight: 358.11
PubChem CID: 59026791

In stock

Item Number

A734384

Grouped product items
SKU	Size	Availability	Price
A734384-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
A734384-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
A734384-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$390.90

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	Aniline and substituted anilines Aminopyridines and derivatives Iodobenzenes Fluorobenzenes Aryl fluorides Aryl iodides Vinylogous amides Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Aniline or substituted anilines - Aminopyridine - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Organoiodide - 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

Names and Identifiers

IUPAC Name	3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid
INCHI	InChI=1S/C12H8FIN2O2/c13-9-5-7(14)1-2-10(9)16-11-6-15-4-3-8(11)12(17)18/h1-6,16H,(H,17,18)
InChIKey	LKJJUICFLVYDJQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)O
PubChem CID	59026791
Molecular Weight	358.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	358.110 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	357.961 Da
Monoisotopic Mass	357.961 Da
Topological Polar Surface Area	62.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	306.000
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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