structure of 5-Chloro-N2-methylpyridine-2,3-diamine

5-Chloro-N2-methylpyridine-2,3-diamine

CAS No.: 100114-37-2
M. Wt: 157.60100
M. Fa: C6H8ClN3
InChI Key: VMWQUMKADFQDBI-UHFFFAOYSA-N

Names and Identifiers of 5-Chloro-N2-methylpyridine-2,3-diamine

CAS Number

100114-37-2

EC Number

962-940-6

MDL Number

MFCD07375046

IUPAC Name

5-chloro-2-N-methylpyridine-2,3-diamine

InChI

InChI=1S/C6H8ClN3/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,8H2,1H3,(H,9,10)

InChIKey

VMWQUMKADFQDBI-UHFFFAOYSA-N

Canonical SMILES

CNC1=C(C=C(C=N1)Cl)N

UNSPSC Code

12352100

Physical and chemical properties of 5-Chloro-N2-methylpyridine-2,3-diamine

Exact Mass

157.04100

H Bond Acceptors

3

H Bond Donors

2

LogP

2.01310

Molecular Formula

C6H8ClN3

Molecular Weight

157.60100

PSA

50.94000

Safety Information of 5-Chloro-N2-methylpyridine-2,3-diamine

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 5-Chloro-N2-methylpyridine-2,3-diamine

5-Chloro-N2-methylpyridine-2,3-diamine has potential applications in various fields:

  • Pharmaceuticals: As a building block for developing new medications targeting infectious diseases or cancer.
  • Agriculture: Used in formulating agrochemicals due to its antimicrobial properties.
  • Materials Science: Its ability to form hydrogen bonds makes it useful in creating novel materials with specific mechanical or thermal properties.

Interaction Studies of 5-Chloro-N2-methylpyridine-2,3-diamine

Studies on the interactions of 5-Chloro-N2-methylpyridine-2,3-diamine with biological targets are crucial for understanding its potential therapeutic effects. Investigations into enzyme binding affinities and cellular uptake mechanisms are ongoing. Preliminary data suggest that this compound may interact favorably with certain enzymes involved in metabolic pathways, indicating its potential as a pharmacological agent.

Similar Compounds: Comparison

Several compounds share structural similarities with 5-Chloro-N2-methylpyridine-2,3-diamine. Here is a comparison highlighting their uniqueness:

Compound NameCAS NumberKey Features
5-Bromo-N2-methylpyridine-2,3-diamine89415-54-3Similar structure but with bromine instead of chlorine.
5-Iodo-N2-methylpyridine-2,3-diamineNot listedIodine substitution; potentially different reactivity profile.
N1-(5-Bromopyrid-2-yl)ethane-1,2-diamine199522-66-2Contains an ethylamine moiety; differing biological activities.
6-Bromo-3-methyl-3H-imidazo[4,5-b]pyridine37805-78-0Different ring structure; unique biological properties.
5-Bromo-N-methylpyridin-2-amine84539-30-0Lacks one amino group compared to the target compound.

Biological Activity of 5-Chloro-N2-methylpyridine-2,3-diamine

Research indicates that compounds similar to 5-Chloro-N2-methylpyridine-2,3-diamine exhibit various biological activities, including:

  • Antimicrobial Properties: Derivatives of pyridine with amino substitutions have shown effectiveness against certain bacterial strains.
  • Antitumor Activity: Some studies suggest that pyridine derivatives can inhibit cancer cell proliferation.
  • Enzyme Inhibition: The compound may interact with specific enzymes, potentially serving as a lead structure for drug development targeting various biological pathways.

Retrosynthesis analysis of 5-Chloro-N2-methylpyridine-2,3-diamine

  • Route#1

    Cas:75806-86-9
    Cas:100114-37-2

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