2-Hydroxy-5-methylpyrazine
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Basic information
- CAS
20721-17-9- Standard SMILES
Cc1c[nH]c(=O)cn1- InChIKey
MJJNWPBBFIRYCW-UHFFFAOYSA-N- Molecular formula
- C5H6N2O
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.04801282
Names & identifiers
- Preferred name
- 2-Hydroxy-5-methylpyrazine
- IUPAC
- 5-methyl-1H-pyrazin-2-one
- English name
- 2-HYDROXY-5-METHYLPYRAZINE
- Molecular formula
- C5H6N2O
- Molecular weight
- 110.11
Names & synonyms
2-Hydroxy-5-methylpyrazine20721-17-92(1H)-Pyrazinone, 5-methyl-5-Methyl-2(1H)-pyrazonePyrazinol, 5-methyl-5-methylpyrazinolPyrazine, 2-hydroxy-5-methyl-NSC 143658UNII-EX039G48ZEEX039G48ZENSC-1436585-METHYL-2-PYRAZINOL
Show more names
5-Methyl-1H-pyrazin-2-one5-Methyl-2(1H)-pyrazinone2,10-dichloro-12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-4-benzazepine
DTXSID701747873,4-DIHYDRO-6-METHYL-3-OXOPYRAZINERefChem:87443Pyrazinol, 5-methyl-(8CI)DTXCID70972782(1H)-Pyrazinone, 5-methyl-(9CI)5-Methylpyrazin-2(1H)-one5-methylpyrazin-2-ol
Database identifiers
- CAS
20721-17-9- PubChem CID
- 88668
- DTXSID
DTXSID70174787- UNII
- EX039G48ZE
- Nikkaji
- J51.191I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 68 · 68-69 °C(Solv: ethyl ether (60-29-7))
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.72 · 11.72±0.40(Predicted)
- Appearance
- Brown to black Solid
- FDA UNII
- 39 G48ZE · EX039G48ZE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2933998090 · 2933998090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,1300mg/kg (1300mg/kg),Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Toxicity
- mouse,LD50,intraperitoneal,1300mg/kg (1300mg/kg),Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses5-Methyl-2(1H)-pyrazinone is a useful synthetic intermediate. it is a derivative of 2-Hydroxypyrazine (H952710) which is used in the synthesis of potential antioxidants. 2-Hydroxypyrazine (H952710) is also used in the preparation of antibacterial agents as 2-substituted pyrazine derivatives.
Related reactions
0 records
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Compound notes
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