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CS-W001157 4
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5-(tert-Butyl)nicotinic acid

  • CAS No. 1211589-63-7

  • Cat. No. CS-0435769
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-(tert-Butyl)nicotinic acid|CS-0435769

Structure of 1211589-63-7

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General Information

  • CAS No. 1211589-63-7
  • Cat. No. CS-0435769
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 5-Tert-butylnicotinic acid
  • SMILES O=C(C1=CC(C(C)(C)C)=CN=C1)O

Description

5-(tert-Butyl)nicotinic acid features a sterically hindered tert-butyl group at the pyridine ring's 5-position, enhancing metabolic stability and lipophilicity. This substitution pattern improves membrane permeability while maintaining the carboxylic acid functionality for conjugation or salt formation. The molecule exhibits robust bench stability and compatibility with standard synthetic protocols in medicinal chemistry workflows.

Application

5-(tert-Butyl)nicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted pyridine derivatives through standard functional group transformations. Its tert-butyl substituent provides steric bulk and enhanced stability, facilitating purification and improving metabolic resistance in downstream applications. The carboxylic acid moiety allows for direct coupling reactions or derivatization into amides, esters, and other bioactive scaffolds commonly found in pharmaceutical development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.0773
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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