2-Hydroxy-5-methylpyridine
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Basic information
- CAS
1003-68-5- Standard SMILES
Cc1ccc(=O)[nH]c1- InChIKey
SOHMZGMHXUQHGE-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Overview
5-Methyl-2-pyridinol is a member of methylpyridines.
Names & identifiers
- Preferred name
- 2-Hydroxy-5-methylpyridine
- IUPAC
- 5-methyl-1H-pyridin-2-one
- English name
- 2-Hydroxy-5-methylpyridine
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
2-Hydroxy-5-methylpyridine1003-68-55-Methyl-2-pyridone5-Methyl-2(1H)-pyridinoneC173P2D70YDTXSID20143120RefChem:537051DTXCID3065611213-713-95-methylpyridin-2-ol91914-06-65-Methylpyridin-2(1H)-one
Show more names
AKOS BBS-00002970Hydroxy-5-Methylpyrid5-Methyl-2-oxopyridine2-Hydroxy-5-methyL6-HYDROXY-3-PICOLINE
5-methyl-1H-pyridin-2-one2-Hydroxy-5-picoline5-Methyl-2-pyridinol2-Pyridinol, 5-methyl-2(1H)-Pyridinone, 5-methyl-Pirfenidone EP Impurity B5-methyl-pyridin-2-ol5-methyl-2(1H)-pyridone
Database identifiers
- CAS
1003-68-5、1192-99-0、91914-06-6- PubChem CID
- 70482
- DTXSID
DTXSID20143120- ChEBI
CHEBI:194862- UNII
- C173P2D70Y
- EC Number
- 213-713-9、618-801-4
- Nikkaji
- J110.369E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 183 · 183-187 °C (lit.)
- Boiling point
- 304.2 · 304.2±15.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.43 · 12.43±0.10(Predicted)
- color
- Pale Yellow to Light Yellow
- BRN
- 107074 · 107074
- InChI
- InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
- InChIKey
- SOHMZGMHXUQHGE-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=C(C)C=C1
- CAS DataBase Reference
- 1003 · 1003-68-5(CAS DataBase Reference)
- FDA UNII
- 173 P2D70Y · C173P2D70Y
- NIST Chemistry Reference
- 2 · 2(1H)-pyridinone, 5-methyl-(1003-68-5)
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 8% (4 of 50) of reports.
Danger
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationStatus: Active Update: 27-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18172
Hazard Classes and Categories
Acute Tox. 4 (80%)
Skin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/39
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36-37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Applications
Uses2-Hydroxy-5-methylpyridine (cas# 1003-68-5) is a useful compound for organic synthesis. In particular it has been used for the diastereoselective preparation of cyclobutane-fused pyridinyl sulfonyl fluorides. 2-hydroxy-5-methylpyridine and Iodobenzene were the impurities present in Pirfenidone (PFD) drug substance. PFD is a novel antifibrotic agent approved for mild to moderate Idiopathic pulmonary fibrosis (IPF) as orphan drug[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 5-Methyl-2-pyridinol is a member of methylpyridines.
Related reactions
32 records
Compound notes
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