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1-methylpyridinium-3-carboxylate

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Identification
Molecular formula
C7H7NO2
CAS number
7491-74-9
IUPAC name
1-methylpyridin-1-ium-3-carboxylate
State
State

The compound exists as a solid at room temperature.

Melting point (Celsius)
135.00
Melting point (Kelvin)
408.15
Boiling point (Celsius)
325.00
Boiling point (Kelvin)
598.15
General information
Molecular weight
137.14g/mol
Molar mass
137.1250g/mol
Density
1.3600g/cm3
Appearence

1-Methylpyridinium-3-carboxylate typically appears as a white crystalline solid. It is quite often found in the form of a powder.

Comment on solubility

Solubility of 1-methylpyridin-1-ium-3-carboxylate

1-methylpyridin-1-ium-3-carboxylate (C7H7NO2) exhibits interesting solubility characteristics due to its molecular structure which contains both an aromatic nitrogen heterocycle and a carboxylate group. This unique combination influences its behavior in solvents.

Factors Influencing Solubility:

  • Polarity: The presence of the carboxylate group increases the polarity of the molecule, enhancing its solubility in polar solvents.
  • Hydrogen Bonding: The carboxylate can form hydrogen bonds with water, which contributes positively to its solubility.
  • Electrostatic Interactions: Being a quaternary ammonium compound, it has the potential to engage in electrostatic interactions with anionic species found in various solvents.

In terms of specific solvent interactions, 1-methylpyridin-1-ium-3-carboxylate is expected to be soluble in water due to the reasons above, while its solubility in organic solvents can vary widely depending on the solvent's polarity. Typical observations include:

  • High solubility in polar organic solvents: Such as methanol and ethanol.
  • Limited solubility in non-polar solvents: Such as hexane or benzene due to its polar nature.

In conclusion, the solubility of 1-methylpyridin-1-ium-3-carboxylate is largely defined by its ability to interact through strong hydrogen bonds and electrostatic forces, making it readily soluble in polar environments while offering limited solubility in non-polar conditions.

Interesting facts

1-methylpyridin-1-ium-3-carboxylate: A Compound of Interest

1-methylpyridin-1-ium-3-carboxylate, often referred to in the scientific community as an intriguing organic compound, exhibits a fascinating structure that warrants attention for several reasons:

  • Quaternary Ammonium Salt: This compound is a quaternary ammonium salt, meaning it contains a positively charged nitrogen atom. This unique feature enables it to interact with various nucleophiles, making it a key player in many synthetic reactions.
  • Biological Activity: Studies have indicated that compounds similar to 1-methylpyridin-1-ium-3-carboxylate can exhibit biological properties, such as antimicrobial and anti-inflammatory effects. This raises interesting prospects for potential applications in medicinal chemistry.
  • Versatile Reactivity: The carboxylate group enhances the compound's reactivity, allowing it to participate in a variety of chemical transformations. This versatility makes it useful for forming esters and other functional derivatives.
  • Role in Ionic Liquids: Due to its ionic nature, this compound could serve as a component in ionic liquids. Ionic liquids are known for their low volatility and ability to dissolve a wide range of materials, which are beneficial in green chemistry.
  • Intermolecular Interactions: The presence of both the pyridine ring and carboxylate group provides an opportunity for complex intermolecular interactions. This can lead to unique properties in solution, particularly concerning solvation and structural organization.

As we delve deeper into the realm of organic compounds, one cannot help but appreciate the intricate connections and applications facilitated by such structures as 1-methylpyridin-1-ium-3-carboxylate.

In the words of renowned chemist Linus Pauling: "The best way to have a good idea is to have a lot of ideas." In this spirit, compounds like this one remind us that every molecule holds the potential to unlock new scientific discoveries.

Synonyms
Trigonelline
535-83-1
Trigenolline
N-Methylnicotinate
Caffearine
Gynesine
1-methylpyridinium-3-carboxylate
Coffearine
Betain nicotinate
Coffearin
Trigonellin
Betaine nicotinate
1-methylpyridin-1-ium-3-carboxylate
Nicotinic acid N-methylbetaine
1-Methylpyridinio-3-carboxylate
Trigenelline
Caffearin
1-Methyl-3-pyridiniumcarboxylate
N'-Methylnicotinate
3-Carboxy-1-methylpyridinium hydroxide inner salt
CCRIS 1332
CHEBI:18123
1-methylnicotinate
EINECS 208-620-5
N-methyl-nicotinate
UNII-3NQ9N60I00
BRN 3905114
HSDB 7684
3NQ9N60I00
3-Carboxy-1-methylpyridinium hydroxide, inner salt
3-Carboxy-1-methylpyridinium inner salt
N-Methylnicotinic acid betaine
Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
DTXSID2026230
5-22-02-00143 (Beilstein Handbook Reference)
1-Methyl-Nicotinic Acid Anion(Trigonelline)
TRIGONELLINE (USP-RS)
TRIGONELLINE [USP-RS]
3-Carboxy-1-methylpyridin-1-ium hydroxide
6138-40-5
Trigonelline?
Trigonelline,(S)
MFCD00054262
N'-Methylnicotinic acid
Trigonelline (Standard)
TRIGONELLINE [MI]
TRIGONELLINE [HSDB]
MLS002153895
SCHEMBL195666
SPECTRUM1500880
CHEMBL350675
DTXCID906230
HY-N0414R
HMS2096H08
HMS2234K22
HMS3371K21
HY-N0414
MSK40340
BDBM50548713
CCG-38517
NSC714350
AKOS005067859
FT32681
NSC-714350
SDCCGMLS-0066739.P001
NCGC00095649-01
NCGC00095649-02
NCGC00095649-03
NCGC00095649-04
NCGC00095649-07
AC-34290
AS-17722
SMR001233244
AB00052974
CS-0008944
NS00014578
Pyridinium, 3-carboxy-1-methyl-, inner salt
C01004
3-carboxy-1-methyl-Pyridinium hydroxide inner salt
AP-163/40806827
Q928965
3-Carboxy-1-methylpyridinium, Hydroxide, Inner salt
TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED)
TrigonellineN-Methylnicotinate; Caffearine; Gynesine
TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC]
208-620-5