Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
gptkb:carboxylic_acid |
| gptkbp:appearance |
white crystalline solid
|
| gptkbp:CASNumber |
55-22-1
|
| gptkbp:chemicalFormula |
C6H5NO2
|
| gptkbp:contains_functional_group |
gptkb:carboxylic_acid
pyridine ring |
| gptkbp:hasInChIKey |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
|
| gptkbp:hasSMILES |
C1=CC=NC=C1C(=O)O
|
| https://www.w3.org/2000/01/rdf-schema#label |
isonicotinic acid
|
| gptkbp:isomerOf |
gptkb:picolinic_acid
gptkb:nicotinic_acid gptkb:quinolinic_acid |
| gptkbp:molecularWeight |
123.11 g/mol
|
| gptkbp:position_of_carboxyl_group |
4-position on pyridine ring
|
| gptkbp:relatedTo |
gptkb:picolinic_acid
gptkb:nicotinic_acid gptkb:quinolinic_acid |
| gptkbp:solubility |
soluble
|
| gptkbp:used_in_synthesis_of |
gptkb:isoniazid
isonicotinylhydrazide |
| gptkbp:bfsParent |
gptkb:carboxylic_acid
|
| gptkbp:bfsLayer |
6
|