3-Ethylisonicotinic acid

Basic Information

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CAS Number

4080-54-0

Molecular Formula

C8H9NO2

Molecular Weight

151.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CCc1cnccc1C(=O)O

InChI

InChI=1S/C8H9NO2/c1-2-6-5-9-4-3-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)

InChIKey

AIELWRZUDWJQFM-UHFFFAOYSA-N

LogP

1.3422

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

147

Synonyms & References

English

3-Ethylisonicotinic acid
3-Ethyl-4-pyridine carboxylic acid
3-ETHYL-ISONICOTINIC ACID
3-ethylpyridine-4-carboxylic acid
4-PYRIDINECARBOXYLIC ACID, 3-ETHYL-
4-Pyridinecarboxylicacid,3-ethyl-(9CI)
3-Aethyl-isonicotinsaeure
3-Ethylisonicotinsaeure
3-Ethyl-isonicotinsaeure
3-Ethylpicolinic acid
AK-68366
ANW-61013
CTK8B8676
SureCN115648
3-ethyl isonicotinic acid
Alpha-Athyl-Isonicotinsaure
AIELWRZUDWJQFM-UHFFFAOYSA-N
4-Pyridinecarboxylic acid,3-ethyl-
5553AB

MDL Number

MFCD11519078

FAQ

What is 3-Ethylisonicotinic acid (CAS: 4080-54-0)?

3-Ethylisonicotinic acid is a chemical compound with the CAS number 4080-54-0. It is an organic acid with a molecular formula of C8H10N2O3. This compound is characterized by its solubility in water and its acidity.

What are the main uses of 3-Ethylisonicotinic acid (CAS: 4080-54-0)?

3-Ethylisonicotinic acid is primarily used in pharmaceuticals as an intermediate in the synthesis of other drugs. It also finds applications in the research and development of new chemical entities and in certain industrial processes.

Is 3-Ethylisonicotinic acid (CAS: 4080-54-0) safe?

3-Ethylisonicotinic acid is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including the use of personal protective equipment and avoiding contact with skin and eyes. Proper ventilation is also recommended to prevent inhalation.

How should 3-Ethylisonicotinic acid (CAS: 4080-54-0) be stored?

3-Ethylisonicotinic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Storage at room temperature (15-30°C) is recommended to maintain its stability and quality.