3-Butyn-1-ol, 4-(2-pyridinyl)-


Chemical Name: 3-Butyn-1-ol, 4-(2-pyridinyl)-
CAS Number: 395652-44-5
Product Number: AG00CSVF(AGN-PC-0NECIP)
Synonyms:
MDL No: MFCD18384524
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties


Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
147.068g/mol
Monoisotopic Mass:
147.068g/mol
Topological Polar Surface Area:
33.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-(Pyridin-2-yl)but-3-yn-1-ol, also known as $name$, is a versatile chemical compound widely used in chemical synthesis for various applications. One key application of this compound is as a building block in the synthesis of complex organic molecules. Its unique structure, featuring both a pyridine and an alkyne group, makes it a valuable intermediate for the synthesis of pharmaceuticals, agrochemicals, and materials with targeted properties. In organic synthesis, $name$ can serve as a scaffold for the introduction of additional functional groups through traditional synthetic transformations such as halogenation, alkylation, and acylation. Additionally, the presence of the alkyne moiety allows for further derivatization via click chemistry reactions, enabling the rapid assembly of molecular architectures with precise control over regiochemistry and stereochemistry.