5-Amino-2-fluoroisonicotinic acid

Basic Information

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CAS Number

171178-43-1

Molecular Formula

C6H5FN2O2

Molecular Weight

156.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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C1=C(C(=CN=C1F)N)C(=O)O

InChI

InChI=1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)

InChIKey

DKYUCRYPZALEMP-UHFFFAOYSA-N

LogP

0.5011000000000001

Topological Polar Surface Area

76.21 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

165

Synonyms & References

English

FT-0619979
171178-43-1
5-amino-2-fluoropyridine-4-carboxylic acid
A811300
DTXSID60376278
5-Amino-2-fluoroisonicotinic acid, AldrichCPR
AM85424
4-Pyridinecarboxylicacid, 5-amino-2-fluoro-
5-amino-2-fluoroisonicotinic acid
5-Amino-2-fluoro-isonicotinic acid
PB14345
4-PYRIDINECARBOXYLIC ACID, 5-AMINO-2-FLUORO-
AKOS004916786
DKYUCRYPZALEMP-UHFFFAOYSA-N
PS-6707
MFCD03411724
SCHEMBL4476922
5-amino-2-fluoro-pyridine-4-carboxylic acid;5-Amino-2-fluoroisonicotinic Acid
CS-W006661
SY046590
EN300-112145
5-Amino-2-fluoroisonicotinic acid
5-Amino-2-fluoro-4-pyridinecarboxylic acid
4-Pyridinecarboxylicacid,5-amino-2-fluoro-(9CI)
5-AMINO-2-FLUOROPYRIDINE-4-CARBOXYLIC AC
5-AMINO-2-FLUORO-ISONICOTINIC ACID
5-Amino-2-fluoropyridine-4-carboxylic acid
5-AMino-2-fluoro-isonicotinic acid Methyl ester
5-Amino-2-fluoropyridine-4-carboxylic acid, 5-Amino-4-carboxy-2-fluoropyridine
AMPD00016
FCH922545

MDL Number

MFCD03411724

FAQ

What are the physical and chemical properties of 5-Amino-2-fluoroisonicotinic acid (CAS: 171178-43-1)?

5-Amino-2-fluoroisonicotinic acid is a white crystalline powder with a molecular weight of approximately 209.13 g/mol. It is slightly soluble in water and has a pKa of about 3.1. This compound is known for its moderate reactivity with basic and acidic reagents, making it suitable for various synthetic applications. It is also stable under normal conditions but should be stored in a dry, cool place to prevent degradation.

How is 5-Amino-2-fluoroisonicotinic acid (CAS: 171178-43-1) typically synthesized?

5-Amino-2-fluoroisonicotinic acid is commonly synthesized via a two-step process. First, 2-fluoroisonicotinic acid is aminated using an amino group donor such as an amine or an amide. Commonly used solvents include DMF or DMSO. The second step involves the protection of the amino group, followed by deprotection to yield the desired compound. This method provides good selectivity and yield, making it a reliable route for synthesis.

What industries use 5-Amino-2-fluoroisonicotinic acid (CAS: 171178-43-1)?

5-Amino-2-fluoroisonicotinic acid finds applications in the pharmaceutical industry for drug synthesis, particularly in the development of new antiviral and antifungal agents. It is also used in the polymer industry for the modification of polymer properties and in the production of sensors for detecting specific chemical compounds. Additionally, it has potential applications in the semiconductor industry for use in certain chemical vapor deposition processes.

What precautions should be taken when handling 5-Amino-2-fluoroisonicotinic acid (CAS: 171178-43-1)?

When handling 5-Amino-2-fluoroisonicotinic acid, it is important to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with caution using appropriate absorbent materials. It is recommended to consult the Safety Data Sheet (SDS) for detailed information on proper handling and disposal procedures. Storage should be in a cool, dry place away from direct sunlight and heat sources.