structure of 2-Amino-5-bromo-4-methyl-3-nitropyridine

2-Amino-5-bromo-4-methyl-3-nitropyridine

CAS No.: 100367-40-6
M. Wt: 232.035
M. Fa: C6H6BrN3O2
InChI Key: KFVGEPWMVKZPND-UHFFFAOYSA-N
Appearance: Yellow-green Solid

Names and Identifiers of 100367-40-6

CAS Number

100367-40-6

EC Number

634-469-3

MDL Number

MFCD00092197

IUPAC Name

5-bromo-4-methyl-3-nitropyridin-2-amine

InChI

InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)

InChIKey

KFVGEPWMVKZPND-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C(=NC=C1Br)N)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 100367-40-6

Acidity coefficient

0.78±0.50(Predicted)

Boiling Point

314.1±37.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

230.964325

Flash Point

143.8±26.5 °C

Index of Refraction

1.659

LogP

3.25

Melting Point

160-164ºC

Molecular Formula

C6H6BrN3O2

Molecular Weight

232.035

PSA

84.73000

Storage condition

Refrigerator, Under Inert Atmosphere

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 100367-40-6

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 100367-40-6

This compound serves multiple roles in different fields:

  • Pharmaceutical Intermediates: It is used in the synthesis of various pharmaceutical agents.
  • Organic Synthesis: Its reactive functional groups make it valuable in constructing complex organic molecules.
  • Research: It is utilized in laboratories for developing new chemical entities and studying reaction mechanisms.

Interaction Studies of 100367-40-6

Interaction studies involving 2-amino-5-bromo-4-methyl-3-nitropyridine focus on its reactivity with biological molecules and other chemical entities. Understanding these interactions can help elucidate its potential therapeutic roles or toxicity profiles. Preliminary studies suggest that its derivatives may interact with enzymes or receptors, but comprehensive data is still needed.

Biological Activity of 100367-40-6

Research indicates that 2-amino-5-bromo-4-methyl-3-nitropyridine exhibits biological activity, particularly as an intermediate in the synthesis of pharmaceutical compounds. Its structure allows it to interact with biological targets, although specific studies detailing its pharmacological effects remain limited. The compound's derivatives may possess antimicrobial or anticancer properties, warranting further investigation.

Physical sample testing spectrum (NMR) of 100367-40-6

Physical sample testing spectrum (NMR) of 100367-40-6

Retrosynthesis analysis of 100367-40-6

  • Route#1

    Cas:6635-86-5
    Cas:100367-40-6
  • Route#2

    Cas:98198-48-2
    Cas:100367-40-6
  • Route#3

    Cas:142404-82-8
    Cas:100367-40-6