5-Methylpyridin-4(3H)-one
Basic information
- CAS
10249-36-2- Standard SMILES
CC1=CN=CCC1=O- InChIKey
QOBXWBKANOMOCO-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 5-Methylpyridin-4(3H)-one
- IUPAC
- 5-methyl-3H-pyridin-4-one
- English name
- 3-Methyl-4(1H)-pyridinone
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
5-Methylpyridin-4(3H)-one953018-18-33-Methyl-4-pyridinolSCHEMBL2239842SCHEMBL2498814YN6LK4782HDTXSID407193613-Methyl-4(1H)-pyridinone3-methylpyridin-4(1H)-one4(1H)-Pyridinone, 3-methyl-
Database identifiers
- CAS
10249-36-2、953018-18-3- PubChem CID
- 56972305
- DTXSID
DTXSID40719361- UNII
- YN6LK4782H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303
- Precautionary statements
- 312 · P312
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303
- Precautionary statements
- P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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