Basic information
- 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 properties
- 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
- Melting point
- 105 · 105-107 °C (lit.)
- Boiling point
- 280 · 280-281 °C (lit.)
- Density
- 1.39 · 1.39
- refractive index
- 1.5939 · 1.5939 (estimate)
- FLAVIS Number
- 14.118 · 14.118 | 2-Hydroxypyridine
- Flash point
- 210 °C · 210 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 450 g/l · 450g/l
- pka
- 0.75 · 0.75(at 20℃)
- form
- Liquid
- color
- Colorless to yellow to brown, darken on storage with no loss of purity
- Water Solubility
- 450 g/L · Soluble in water 450 g/L @ 20°C and ethanol, slightly soluble in benzene and ether.
- BRN
- 105786 · 105786
- InChI
- 1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
- InChIKey
- UBQKCCHYAOITMY-UHFFFAOYSA-N
- SMILES
- Oc1ccccn1
- LogP
- -0.593 · -0.593 (est)
- CAS DataBase Reference
- 142 · 142-08-5(CAS DataBase Reference)
- FDA UNII
- 6770 O3A2I5 · 6770O3A2I5
- NIST Chemistry Reference
- 2 · 2(1H)-Pyridinone(142-08-5)
- EPA Substance Registry System
- 2 · 2(1H)-Pyridinone (142-08-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P330+P331+P310
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- Xi,Xn,T
- Risk Statements
- 36 · 36/37/38-40-25
- Safety Statements
- 26 · 26-36-37/39-22-45-36/37/39
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- RTECS
- 1144050 · UV1144050
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 410 mg/kg TOXIA6 23,815,85
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UV1144050
- ridadr
- UN2811
- hs_code
- 29333990
- Toxicity
- LD50 ipr-mus: 410 mg/kg TOXIA6 23,815,85
- risk_code
- 36/37/38-40-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn,T
- safety_code
- 26-36-37/39-22-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P330+P331+P310
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
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Additional notes
DefinitionChEBI: 2-Hydroxypyridine is a monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. It has a role as a plant metabolite.
Related reactions
137 records
Linked notes
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