2-(Hydroxymethyl)-5-methoxy-1-methylpyridin-4(1H)-one
Basic information
- CAS
62885-45-4- Standard SMILES
COc1cn(C)c(CO)cc1=O- InChIKey
HUSRFMARJNTFIZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-methoxy-1-methylpyridin-4(1H)-one
- IUPAC
- 2-(hydroxymethyl)-5-methoxy-1-methylpyridin-4-one
- English name
- 2-(Hydroxymethyl)-5-methoxy-1-methylpyridin-4(1H)-one
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
62885-45-42-(Hydroxymethyl)-5-methoxy-1-methylpyridin-4(1H)-oneDTXSID50499445RefChem:254156DTXCID704502552-(hydroxymethyl)-5-methoxy-1-methylpyridin-4-one2-(Hydroxymethyl)-5-methoxy-1-methyl-4(1h)-pyridinone2-(hydroxymethyl)-5-methoxy-1-methyl-1,4-dihydropyridin-4-oneMFCD22394214ALBB-031768AKOS030545443LS-11567
Show more names
4(1H)-Pyridinone, 2-(hydroxymethyl)-5-methoxy-1-methyl-
H459112-(hydroxymethyl)-5-methoxy-1-methyl-pyridin-4-one
Database identifiers
- CAS
62885-45-4- PubChem CID
- 12468239
- DTXSID
DTXSID50499445
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Boiling point
- 322.7 · 322.7±42.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 15.47 · 15.47±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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