Basic information
- CAS
98497-90-6- Standard SMILES
COc1ccc2[nH]cc(CCN=Cc3c(CO)cnc(C)c3O)c2c1- InChIKey
PSBBWOSAIRQURS-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- 5-Hydroxy-4-(((2-(5-methoxy-1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-3-pyridinemethanol
- IUPAC
- 5-(hydroxymethyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-2-methylpyridin-3-ol
- English name
- (4E)-5-(hydroxymethyl)-4-[[2-(5-methoxy-1H-indol-3-yl)ethylamino]methylidene]-2-methyl-pyridin-3-one
- Molecular formula
- C19H21N3O3
- Molecular weight
- 339.39
Names & synonyms
98497-90-65-(Hydroxymethyl)-4-(((2-(5-methoxy-1H-indol-3-yl)ethyl)imino)methyl)-2-methylpyridin-3-olBRN 04499095-Hydroxy-4-(((2-(5-methoxy-1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-3-pyridinemethanol3-Pyridinemethanol, 5-hydroxy-4-(((2-(5-methoxy-1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-1-(3-Hydroxymethyl-5-hydroxy-6-methyl-pyridyl-(4)-methylen-amino)-2-(5-methoxy-3-indolyl)-ethan(4E)-5-(hydroxymethyl)-4-[[2-(5-methoxy-1H-indol-3-yl)ethylamino]methylidene]-2-methyl-pyridin-3-one
Database identifiers
- CAS
98497-90-6- PubChem CID
- 3062575
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 679.512 · 679.512±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.66 · 13.660±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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