Basic information
- CAS
609-71-2- Standard SMILES
O=C(O)c1ccc[nH]c1=O- InChIKey
UEYQJQVBUVAELZ-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
2-Hydroxynicotinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 2-Hydroxynicotinic acid
- IUPAC
- 2-oxo-1H-pyridine-3-carboxylic acid
- English name
- 2-Hydroxynicotinic acid
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
2-Hydroxynicotinic acid609-71-22-Hydroxypyridine-3-carboxylic acid1,2-Dihydro-2-oxonicotinic acid1,2-Dihydro-2-oxo-3-pyridinecarboxylic acidTMQ68Q9BA3NSC-226152DTXSID20209735RefChem:473477DTXCID70132226210-198-22-oxo-1,2-dihydropyridine-3-carboxylic acid
Show more names
Hydroxynicotinic acid2-Hydroxy acid2 - hydroxy niacin2-HydroxynicotinicTIMTEC-BB SBB0041802-Hydroxynicotinic a
2-oxo-1H-pyridine-3-carboxylic acidMFCD000101002-hydroxy nicotinic acid3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-2-hydroxy-3-carboxypyridineNSC 226152949734-25-23-carboxy-2-pyridone
Database identifiers
- CAS
609-71-2- PubChem CID
- 69114
- DTXSID
DTXSID20209735- ChEMBL
CHEMBL53297- ChEBI
CHEBI:166572- UNII
- TMQ68Q9BA3
- EC Number
- 210-198-2
- Nikkaji
- J94.850K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 258 · 258-261 °C(lit.)
- Boiling point
- 255.04 °C · 255.04°C (rough estimate)
- Density
- 1.4429 · 1.4429 (rough estimate)
- refractive index
- 1.5423 · 1.5423 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 0.1 M · 0.1 M NaOH: 0.1 g/mL, clear
- pka
- 2.4 · 2.40±0.20(Predicted)
- form
- Powder
- color
- White to light yellow
- BRN
- 119028 · 119028
- InChI
- InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
- InChIKey
- UEYQJQVBUVAELZ-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=CC=C1C(O)=O
- CAS DataBase Reference
- 609 · 609-71-2(CAS DataBase Reference)
- FDA UNII
- 68 Q9BA3 · TMQ68Q9BA3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Hydroxynicotinic acid is used in chemical synthesis. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionChEBI: 2-Hydroxynicotinic acid is a member of pyridines and an aromatic carboxylic acid. It is a derivative of nicotinic acid, was found to exist in four polymorphs. It is used as a growth factor in Erwinia amylovora growth (pear and apple blossoms).
Related reactions
10 records
Compound notes
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