5-Butylpyridine-2-carboxylic acid

5-Butylpyridine-2-carboxylic acid
Compound Structure:
Synonyms: fusaric acid;5-Butylpicolinic acid;536-69-6;5-Butylpyridine-2-carboxylic acid;Fusarinic acid;2-Pyridinecarboxylic acid, 5-butyl-;5-Butyl-2-pyridinecarboxylic acid; Picolinic acid, 5-butyl-;5-n-Butylpyridine-2-carboxylic acid
Compound ID: NMPC-446
PubChem ID:

3442
Molecular Formula: C10H13NO2
Canonical SMILES: CCCCC1=CN=C(C=C1)C(=O)O
InChIKey: DGMPVYSXXIOGJY-UHFFFAOYSA-N
About the compound:

Fusaric acid is a picolinic acid derivative initially isolated from Fusarium heterosporium and is recognized for its antibiotic properties. This compound, typically extracted from various Fusarium species, has been explored for several therapeutic applications, although it is primarily utilized as a research tool. Its biochemical action is complex, involving the modulation of monoamine metabolism by inhibiting specific enzymes, which influences neurotransmitter levels, including dopamine, norepinephrine, and serotonin[1]

References 

Fusaric acid." Wikipedia. https://en.wikipedia.org/wiki/Fusaric_acid

GHS Hazard Statements

H302 (98.55%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

179.22 g/mol

XLogP3-AA

2.6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

4

Exact Mass

179.094628657 g/mol

Monoisotopic Mass

179.094628657 g/mol

Topological Polar Surface Area

50.2Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

170

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

COLORLESS CRYSTALS

Meting Point

96-98 °C

Source: PubChem
Source Species: Pennisetum purpureum
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