structure of Ethyl 4-amino-5-nitropicolinate

Ethyl 4-amino-5-nitropicolinate

CAS No.: 1000783-10-7
M. Wt: 211.17500
M. Fa: C8H9N3O4
InChI Key: PGSAVGAWCWMKJF-UHFFFAOYSA-N

Names and Identifiers of Ethyl 4-amino-5-nitropicolinate

CAS Number

1000783-10-7

MDL Number

MFCD13186745

IUPAC Name

ethyl 4-amino-5-nitropyridine-2-carboxylate

InChI

InChI=1S/C8H9N3O4/c1-2-15-8(12)6-3-5(9)7(4-10-6)11(13)14/h3-4H,2H2,1H3,(H2,9,10)

InChIKey

PGSAVGAWCWMKJF-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=NC=C(C(=C1)N)[N+](=O)[O-]

Physical and chemical properties of Ethyl 4-amino-5-nitropicolinate

Exact Mass

211.05900

H Bond Acceptors

5

H Bond Donors

1

LogP

1.85310

Molecular Formula

C8H9N3O4

Molecular Weight

211.17500

PSA

111.03000

Safety Information of Ethyl 4-amino-5-nitropicolinate

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Interaction Studies of Ethyl 4-amino-5-nitropicolinate

Studies on ethyl 4-amino-5-nitropicolinate's interactions reveal its potential to modulate various biological pathways. Its nitro group can be reduced within biological systems to form active intermediates that may affect cellular functions. The amino group enhances its ability to form hydrogen bonds with proteins, which could influence enzymatic activities or receptor interactions. Understanding these interactions is crucial for evaluating its therapeutic potential.

Biological Activity of Ethyl 4-amino-5-nitropicolinate

Research indicates that ethyl 4-amino-5-nitropicolinate exhibits significant biological activities. It has been studied for its potential antimicrobial and anticancer properties. The compound's mechanism of action involves its interaction with specific molecular targets within biological systems. The nitro group can undergo bioreduction, forming reactive intermediates that may interact with cellular components, influencing various biological effects. Additionally, the amino group facilitates interactions with target proteins through hydrogen bonding.

Retrosynthesis analysis of Ethyl 4-amino-5-nitropicolinate

  • Route#1

    Cas:100047-36-7
    Cas:1000783-10-7
  • Route#2

    Cas:1918-02-1
    Cas:1000783-10-7