2-Pyridone
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Basic information
- CAS
142-08-5- Standard SMILES
O=c1cccc[nH]1- InChIKey
UBQKCCHYAOITMY-UHFFFAOYSA-N- Molecular formula
- C5H5NO
- Average molar mass
- 95.1 g/mol
- Monoisotopic mass
- 95.03711378
Overview
Pyridin-2-ol is a monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- 2-Pyridone
- IUPAC
- 1H-pyridin-2-one
- English name
- 2-Hydroxypyridine
- Molecular formula
- C5H5NO
- Molecular weight
- 95.1
Names & synonyms
2-HYDROXYPYRIDINE142-08-52-Pyridone2(1H)-Pyridinone2-Pyridinone2(1H)-Pyridone2(lH)-PyridinoneDTXSID20517166770O3A2I5NSC-172522DTXCID2030271RefChem:473508
Show more names
Pyridin-2-oneα-Pyridone
205-520-3Pyridin-2-ol2-Pyridinolpyridin-2(1H)-one72762-00-61H-pyridin-2-onePyridinonealpha-Pyridone
Database identifiers
- CAS
142-08-5、66396-89-2、72762-00-6- PubChem CID
- 8871
- DTXSID
DTXSID2051716- ChEMBL
CHEMBL662- ChEBI
CHEBI:16540- UNII
- 6770O3A2I5
- EC Number
- 205-520-3、276-824-1
- Nikkaji
- J13.556I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Flavoring AgentsEU Flavoring substances
Solubility1000 mg/mL at 20 °C
Melting Point107.8 °C
Vapor Pressure0.55 [mmHg]
Physical Description
Off-white crystalline powder, soluble in water; [MSDSonline]
Solid
Collision Cross Section
115.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2051716]
115.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
115.5 Ų [M+H]+
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 41.7% (78 of 187) of reports.
Danger
H301 (57.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2(1H)-Pyridinone
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(1H)-Pyridinone: Does not have an individual approval but may be used under an appropriate group standard
2-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] Pyridine compounds are potential CNS depressants; [Ullmann] See Pyridine.
Hazard Classes and CategoriesAcute Tox. 3 (57.8%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
Chemistry & industry
Uses & manufacturing
UsesDrug / Therapeutic Agent; [ChemIDplus]
General Manufacturing Information2(1H)-Pyridinone: ACTIVE
Applications
Uses2-Hydroxypyridine is a bifunctional catalyst for a wide variety of acylation reactions, catalyst for generating β-oxopropyl carbonates from cyclic carbonates and alcohols and in the aminolysis of a polyglutamate. It is used in peptide synthesis.
UsesCatalyst for generating β-oxopropyl carbonates from cyclic carbonates and alcohols and in the aminolysis of a polyglutamate.
General Description2-Hydroxypyridine, an enolic tautomer of 2-pyridone, belongs to the class of volatile organic compounds (VOCs).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
137 records
Compound notes
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