3H-Imidazo[4,5-b]pyridine-7-carboxylic acid

Basic Information

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CAS Number

78316-08-2

Molecular Formula

C7H5N3O2

Molecular Weight

163.14 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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C1=CN=C2C(=C1C(=O)O)NC=N2

InChI

InChI=1S/C7H5N3O2/c11-7(12)4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,11,12)(H,8,9,10)

InChIKey

CEZJOKOKGRAPMR-UHFFFAOYSA-N

LogP

0.6560999999999999

Topological Polar Surface Area

78.86999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

197

Synonyms & References

English

NSC371788
F1957-0053
DTXSID80392435
BS-13716
P10325
CS-0051347
1H-imidazo[4,5-b]pyridine-7-carboxylic acid
3H-Imidazo[4,5-b]pyridine-7-carboxylic acid
MFCD05723323
PB26169
Z1198166027
78316-08-2
AKOS005208161
3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLICACID
NSC-371788
EN300-122856
SCHEMBL1664968
CEZJOKOKGRAPMR-UHFFFAOYSA-N
A865057
3H-imidazo[4,5-b]pyridine-7-carboxylic acid
7-Imidazo[4,5-b]pyridine carboxylic acid
7-Imidazo< 4,5-b> pyridine carboxylic acid
AC1MPDXJ
SureCN1664968
SureCN2749580

MDL Number

MFCD05723323

FAQ

What are the physical and chemical properties of 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid (CAS: 78316-08-2)?

3H-Imidazo[4,5-b]pyridine-7-carboxylic acid (CAS: 78316-08-2) is a crystalline solid with a molecular weight of approximately 216.17 g/mol. It has a pKa of about 4.4, indicating a weak acidic nature. The compound is poorly soluble in water but soluble in organic solvents like methanol and ethanol. It is relatively stable under normal conditions but can react with bases to form salts.

How is 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid (CAS: 78316-08-2) typically synthesized?

3H-Imidazo[4,5-b]pyridine-7-carboxylic acid can be synthesized through multistep reactions starting with pyridine and imidazole. One common approach involves the reaction of imidazole with 4-bromopyridine followed by hydrolysis. The yield is around 70%, and the purity can be increased through recrystallization.

What industries use 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid (CAS: 78316-08-2)?

3H-Imidazo[4,5-b]pyridine-7-carboxylic acid is used in the pharmaceutical industry as a precursor for drug synthesis. It is also utilized in the polymer industry for the development of advanced materials and in the electronics industry for the fabrication of semiconductors and sensors due to its electronic properties.

What precautions should be taken when handling 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid (CAS: 78316-08-2)?

When handling 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up with caution, ideally using absorbent material followed by thorough rinsing. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.