Basic information
- Standard SMILES
O=C([O-])c1ccncc1- InChIKey
TWBYWOBDOCUKOW-UHFFFAOYSA-M- Molecular formula
- C6H4NO2-
- Average molar mass
- 122.1 g/mol
Overview
Isonicotinate is a pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid. It is a conjugate base of an isonicotinic acid.
Names & identifiers
- Preferred name
- Isonicotinate
- IUPAC
- pyridine-4-carboxylate
Names & synonyms
Isonicotinatepyridine-4-carboxylategamma-Picolinate4-Picolinate4-pyridinecarboxylateCHEBI:38186RefChem:10875964-PyridylcarboxylateNSC 1483p-Pyridinecarboxylategamma-PyridinecarboxylateTWBYWOBDOCUKOW-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 3963005
- ChEBI
CHEBI:38186- Nikkaji
- J2.692.877J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 102
Related reactions
2 records
Linked notes
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