5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Basic Information

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CAS Number

800401-84-7

Molecular Formula

C8H5ClN2O2

Molecular Weight

196.59 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Yellow to Brown Solid

SMILES

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C1=C2C=C(NC2=NC=C1Cl)C(=O)O

InChI

InChI=1S/C8H5ClN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)

InChIKey

YMSGAOPCRLRFMT-UHFFFAOYSA-N

LogP

1.9144999999999996

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

224

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0646568
Z1198235615
FF-0745
MFCD09878689
CS-0002367
J-517255
DTXSID40660001
EN300-1719748
YMSGAOPCRLRFMT-UHFFFAOYSA-N
5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid
PB13183
SC2521
AKOS006310154
A9943
SCHEMBL2106960
800401-84-7
1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, 5-CHLORO-
AMY24569
5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-CHLORO-7-AZAINDOLE-2-CARBOXYLIC ACID
5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
1H-Pyrrolo[2,3-b]pyridine- 2-carboxylic acid, 5-chloro-
5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbo×ylic acid
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-chloro-
PubChem14614
FCH875150
VP12407
RP04068
EN001376

MDL Number

MFCD09878689

Customs Code

2933990090

FAQ

What is 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS: 800401-84-7)?

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, also known as 5-Cl-PPCA, is a chemical compound with the CAS number 800401-84-7. It has a molecular formula of C9H7ClN3O2 and is a solid at room temperature with a characteristic odor. It is a derivative of pyridine that finds applications in pharmaceuticals and research.

What are the main uses of 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS: 800401-84-7)?

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (5-Cl-PPCA) is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It also serves as a research tool in organic chemistry and drug discovery due to its structural characteristics and biological activities.

Is 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS: 800401-84-7) safe?

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is generally safe when handled with proper precautions. It is important to follow safety guidelines such as using appropriate personal protective equipment (PPE) and adhering to safe storage and disposal practices to minimize risks. Exposure to this compound should be minimized to avoid potential health hazards.

How should 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS: 800401-84-7) be stored?

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic 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 degradation and contamination. Storage at room temperature is recommended, but it is best to check the specific storage conditions provided by the manufacturer.