Isonicotinic acid

Isonicotinic acid or 4-pyridinecarboxylic acid is an organic compound with the formula C₅H₄N(CO₂H). It is a derivative of pyridine with a carboxylic acid substituent at the 4-position. It is an isomer of picolinic acid and nicotinic acid which has the carboxyl group at the 2- and 3-position respectively compared to the 4-position for isonicotinic acid.

Isonicotinic acid[1]

Skeletal formula Ball-and-stick model
Names
Preferred IUPAC name Pyridine-4-carboxylic acid
Other names Isonicotinic acid 4-Pyridinecarboxylic acid p-Pyridinecarboxylic acid 4-Picolinic acid
Identifiers
CAS Number	55-22-1 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:6032 Y
ChEMBL	ChEMBL1203 Y
ChemSpider	5709 Y
ECHA InfoCard	100.000.208
KEGG	C07446 Y
PubChem CID	5922
UNII	Y8SYN761TQ Y
CompTox Dashboard (EPA)	DTXSID8020757
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) Y Key: TWBYWOBDOCUKOW-UHFFFAOYSA-N Y InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) Key: TWBYWOBDOCUKOW-UHFFFAOYAV
SMILES c1cnccc1C(=O)O
Properties
Chemical formula	C6H5NO2
Molar mass	123.111 g·mol−1
Appearance	White to off-white crystalline solid
Density	Solid
Melting point	310 °C (590 °F; 583 K) (sublimes)
Hazards
Safety data sheet	http://datasheets.scbt.com/sc-250188.pdf
NFPA 704 (fire diamond)	1 3 0
Related compounds
Related compounds	nicotinic acid, pyridine isoniazid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references