5-methyl-1H-pyrrole-3-carboxylic acid
CAS No.:
100047-52-7
M. Wt:
125.12500
M. Fa:
C6H7NO2
InChI Key:
COMZOQAWNKVQEZ-UHFFFAOYSA-N
Appearance:
Brown Solid
Names and Identifiers of 5-methyl-1H-pyrrole-3-carboxylic acid
CAS Number |
100047-52-7 |
|---|---|
EC Number |
845-879-9 |
MDL Number |
MFCD09991919 |
IUPAC Name |
5-methyl-1H-pyrrole-3-carboxylic acid |
InChI |
InChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9) |
InChIKey |
COMZOQAWNKVQEZ-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=CN1)C(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-methyl-1H-pyrrole-3-carboxylic acid
Acidity coefficient |
5.26±0.30(Predicted) |
|---|---|
Boiling Point |
326.3ºC at 760mmHg |
Density |
1.295g/cm3 |
Exact Mass |
125.04800 |
Flash Point |
151.1ºC |
Index of Refraction |
1.586 |
LogP |
1.02130 |
Melting Point |
210℃ (decomposition) |
Molecular Formula |
C6H7NO2 |
Molecular Weight |
125.12500 |
PSA |
53.09000 |
Storage condition |
2-8°C |
Vapour Pressure |
8.87E-05mmHg at 25°C |
Safety Information of 5-methyl-1H-pyrrole-3-carboxylic acid
Interaction Studies of 5-methyl-1H-pyrrole-3-carboxylic acid
Studies on the interactions of 5-methyl-1H-pyrrole-3-carboxylic acid with biological systems have shown:
- Enzyme Inhibition: Certain derivatives may inhibit specific enzymes involved in metabolic pathways, which can be beneficial in treating diseases like cancer.
- Binding Affinity: The compound has been investigated for its binding affinity to various receptors, contributing to its potential therapeutic effects.
Biological Activity of 5-methyl-1H-pyrrole-3-carboxylic acid
Research indicates that 5-methyl-1H-pyrrole-3-carboxylic acid and its derivatives possess various biological activities, including:
- Antimicrobial Properties: Some derivatives have shown significant antimicrobial activity against various pathogens.
- Antitumor Activity: Compounds derived from this structure have been evaluated for their potential as antitumor agents, demonstrating promising results in inhibiting cancer cell proliferation.
Physical sample testing spectrum (NMR) of 5-methyl-1H-pyrrole-3-carboxylic acid
Cas:2199-50-0
