4-Iodo-1H-pyrrolo[2,3-b]pyridine

Basic Information

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CAS Number

319474-34-5

Molecular Formula

C7H5IN2

Molecular Weight

244.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CNC2=NC=CC(=C21)I

InChI

InChI=1S/C7H5IN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)

InChIKey

PCHGYPNRADCIKG-UHFFFAOYSA-N

LogP

2.1674999999999995

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID40619271
A875757
DS-0358
1H-Pyrrolo[2,3-b]pyridine, 4-iodo-
CS-0003993
4-Iodo-1H-pyrrolo[2,3-b]pyridine
AKOS015853688
PCHGYPNRADCIKG-UHFFFAOYSA-N
AM20061743
MFCD08272234
SCHEMBL306661
EN300-97047
SY029963
4-Iodo-7-azaindole
BCP09440
J-515567
319474-34-5
4-Iodo-1H-pyrrolo[2,3-b]pyridine, AldrichCPR
FT-0648955
4-iodo-1H-pyrrolo[2,3-b]pyridine

MDL Number

MFCD08272234

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Iodo-1H-pyrrolo[2,3-b]pyridine (CAS: 319474-34-5)?

4-Iodo-1H-pyrrolo[2,3-b]pyridine is a crystalline solid with a molecular weight of approximately 239.03 g/mol. Its solubility in water is low, making it poorly soluble. The compound is moderately reactive towards nucleophiles. It exhibits a melting point of around 180°C and is stable under normal laboratory conditions.

How is 4-Iodo-1H-pyrrolo[2,3-b]pyridine (CAS: 319474-34-5) typically synthesized?

4-Iodo-1H-pyrrolo[2,3-b]pyridine is typically synthesized through an iodination reaction, where pyrrolo[2,3-b]pyridine is treated with iodine in the presence of a Lewis acid catalyst such as aluminum trichloride. The reaction yields the iodinated compound with high selectivity and good to excellent yield.

What industries use 4-Iodo-1H-pyrrolo[2,3-b]pyridine (CAS: 319474-34-5)?

4-Iodo-1H-pyrrolo[2,3-b]pyridine is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the field of organic chemistry, particularly in the development of novel materials such as polymers and sensors.

What precautions should be taken when handling 4-Iodo-1H-pyrrolo[2,3-b]pyridine (CAS: 319474-34-5)?

When handling 4-Iodo-1H-pyrrolo[2,3-b]pyridine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be handled by professional clean-up services, and the Safety Data Sheet (SDS) should be consulted for detailed instructions.