Basic information
- CAS
15069-92-8- Standard SMILES
O=C(O)c1ccc(O)cn1- InChIKey
CGRRUFNHHQCLDZ-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
5-hydroxypicolinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 5-Hydroxypyridine-2-carboxylic acid
- IUPAC
- 5-hydroxypyridine-2-carboxylic acid
- English name
- 5-Hydroxypyridine-2-carboxylic acid
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
5-hydroxypyridine-2-carboxylic acidDTXSID10934029RefChem:102930DTXCID201362683691-371-35-Hydroxypicolinic acid15069-92-85-HYDROXY-2-PYRIDINECARBOXYLIC ACID5-Hydroxy-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-MFCD00661309SCHEMBL288224
Show more names
5-Hy6-Carboxy-3-pyridinolIFLAB-BB F2124-09595-Hydroxypicolinic acid 98%5-Hydroxypicolinic acid ,97%5-Hydroxypyridine-2-carbo...5-Hydroxypicolinic acid, 95+%5-HYDROXYPYRIDINE-2-CARBOXYLATE
STK894097AC-5954PB26027PS-5444NCGC00339634-01SY0130725-Hydroxypyridine-2-carboxylic acid monohydrateAB01331858-02
Database identifiers
- CAS
15069-92-8- PubChem CID
- 268740
- DTXSID
DTXSID10934029
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 260 · 260-264
- Boiling point
- 514.9 · 514.9±35.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in acetone, dimethyl sulfoxide , ethanol and methanol.
- form
- Solid
- pka
- 1.15 · 1.15±0.50(Predicted)
- color
- Pale Yellow
- λmax
- 327 nm · 327nm(MeOH)(lit.)
- Stability
- Stable at Room Temperature
- InChI
- InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10)
- InChIKey
- CGRRUFNHHQCLDZ-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=C(O)C=C1
- CAS DataBase Reference
- 15069 · 15069-92-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesUseful synthetic intermediate. Also intermediate for pharmaceutical application.
Uses5-Hydroxypyridine-2-carboxylic acid is a useful synthetic intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
26 records
Compound notes
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