Nicotinic acid
A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 59-67-6 | ChEBI ↗ |
| Molecular formula | C6H5NO2 | ChEBI ↗ |
| Molar mass | 123.111 g/mol | ChEBI ↗ |
| Monoisotopic mass | 123.03203 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:15940 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 123.11 g/mol | PubChem ↗ |
| Exact mass | 123.032028402 Da | PubChem ↗ |
| Computed XLogP | 0.4 | PubChem ↗ |
| Topological polar surface area (Ų) | 50.2 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 1 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifiernicotinic acidnicotinic acidPVNIIMVLHYAWGP-UHFFFAOYSA-NO=C(O)c1cccnc1InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 123.111 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCONHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.