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


Chemical Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS Number: 918515-16-9
Product Number: AG006PY6(AGN-PC-04Q68V)
Synonyms:
MDL No:
Molecular Formula: C8H5ClN2O
Molecular Weight: 180.5911

Identification/Properties


Properties
BP:
372.6 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.591g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
180.009g/mol
Monoisotopic Mass:
180.009g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is a versatile chemical compound commonly used in chemical synthesis. It serves as a key building block in the preparation of various biologically active molecules and pharmaceutical intermediates. In organic synthesis, this compound is often employed as a starting material for the synthesis of diverse heterocyclic compounds due to its unique structure and reactivity. Its functional groups enable it to participate in a range of reactions such as nucleophilic addition, substitution, and cross-coupling reactions, making it a valuable tool for chemists in the development of new compounds with potential pharmaceutical applications.