Basic information
- CAS
874-24-8- Standard SMILES
O=C(O)c1ncccc1O- InChIKey
BRARRAHGNDUELT-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
3-hydroxypicolinic acid is a monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides. It has a role as a MALDI matrix material. It is a monocarboxylic acid and a monohydroxypyridine.
Names & identifiers
- Preferred name
- 3-Hydroxypicolinic Acid
- IUPAC
- 3-hydroxypyridine-2-carboxylic acid
- English name
- 3-Hydroxypicolinic acid
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
3-HYDROXYPICOLINIC ACID874-24-83-Hydroxypyridine-2-carboxylic acid3-Hydroxy-2-pyridinecarboxylic acidCHEBI:64342XV7XP64JR5DTXSID80236320RefChem:502587DTXCID80158811212-859-02-Pyridinecarboxylic acid, 3-hydroxy-MFCD00006294
Show more names
3-HPARARECHEM AL BO 0972TIMTEC-BB SBB0067273-hydroxypicolinicaci2-Carboxy-3-hydroxypyridine3-Hydroxy-2-carboxypyridine3-Hydroxypicolinic acid,98%3-Hydroxypyridine-2-carboxyL3-Hydroxypicolinic acid, 3-HPA
Pyridinecarboxylic acid, hydroxy-3-Hydroxypicolinate116357-04-1UNII-XV7XP64JR53-Hydroxy-2-pyridinecarboxylateCHEMBL12343263-Hydroxypyridinium-2-carboxylate3-hydroxy-2-pyridine carboxylic acid
Database identifiers
- CAS
874-24-8- PubChem CID
- 13401
- DTXSID
DTXSID80236320- ChEMBL
CHEMBL1234326- ChEBI
CHEBI:64342- UNII
- XV7XP64JR5
- EC Number
- 212-859-0
- Nikkaji
- J195.156D
Properties
Computed structural properties
- XLogP
- 1.3
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP-1.27
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 213 · 213-218 °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.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- pka
- 1.14 · 1.14±0.50(Predicted)
- form
- Fine Powder
- color
- White to almost white
- Water Solubility
- Soluble in water (0.25g in 10ml).
- BRN
- 118954 · 118954
- InChI
- InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
- InChIKey
- BRARRAHGNDUELT-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=CC=C1O
- CAS DataBase Reference
- 874 · 874-24-8(CAS DataBase Reference)
- FDA UNII
- 7 XP64JR5 · XV7XP64JR5
- NIST Chemistry Reference
- 3 · 3-Hydroxypicolinic acid(874-24-8)
- 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-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/22
- Safety Statements
- 26 · 26-28-36/37/39-36
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 63 reports by companies from 8 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
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-28-36/37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesSynthetic Polymer MALDI Matrix Compounds
Applications
Uses3-Hydroxypicolinic acid (3-HPA) is a matrix material used in matrix-assisted laser desorption/ionization (MALDI) based mass spectroscopy (MS) for the analysis of large biomolecules and quantification of oligonucleotides.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: A monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides.
Related reactions
65 records
Compound notes
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