structure of Tert-butyl 5-cyanopicolinate

Tert-butyl 5-cyanopicolinate

CAS No.: 1228182-78-2
M. Wt: 204.23
M. Fa: C11H12N2O2
InChI Key: JASFKCWCINNIKP-UHFFFAOYSA-N

Names and Identifiers of Tert-butyl 5-cyanopicolinate

CAS Number

1228182-78-2

MDL Number

MFCD16622797

IUPAC Name

tert-butyl 5-cyanopyridine-2-carboxylate

InChI

InChI=1S/C11H12N2O2/c1-11(2,3)15-10(14)9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3

InChIKey

JASFKCWCINNIKP-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)C1=CC=C(C#N)C=N1

UNSPSC Code

12352100

Physical and chemical properties of Tert-butyl 5-cyanopicolinate

Boiling Point

341.2±27.0 °C(Predicted)

Density

1.14±0.1 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

0

LogP

1.85495651466667

Molecular Formula

C11H12N2O2

Molecular Weight

204.23

Safety Information of Tert-butyl 5-cyanopicolinate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Tert-butyl 5-cyanopicolinate

Tert-butyl 5-cyano-2-pyridinecarboxylate has several applications:

  • Synthetic Intermediates: It serves as an intermediate in the synthesis of various pharmaceuticals and agrochemicals.
  • Building Blocks: The compound is utilized in the construction of more complex organic molecules, particularly in drug discovery.
  • Research Tool: Its unique structure makes it useful for studying reaction mechanisms and developing new synthetic methodologies.

Biological Activity of Tert-butyl 5-cyanopicolinate

While specific biological activities of tert-butyl 5-cyano-2-pyridinecarboxylate are not extensively documented, compounds with similar structures often exhibit significant biological properties. For instance, derivatives of pyridine and cyano groups are known to possess antimicrobial, anti-inflammatory, and anticancer activities. The biological implications of this compound may warrant further investigation through pharmacological studies.