1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile


Chemical Name: 1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile
CAS Number: 4414-87-3
Product Number: AG00DG7O(AGN-PC-03HLOD)
Synonyms:
MDL No:
Molecular Formula: C9H7N3
Molecular Weight: 157.1720

Identification/Properties


Computed Properties
Molecular Weight:
157.176g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
157.064g/mol
Monoisotopic Mass:
157.064g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
205
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile is a versatile compound widely used in chemical synthesis as a key building block in the creation of various organic molecules. This compound serves as an important intermediate in the production of pharmaceuticals, agrochemicals, and materials with complex structures. Its unique chemical properties make it a valuable tool in the development of novel compounds with diverse applications in the fields of medicine, agriculture, and materials science.