Pyridine-3,5-diyldimethanol
Basic information
- CAS
21636-51-1- Standard SMILES
OCc1cncc(CO)c1- InChIKey
HYUQKAGYJAFMBA-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- Pyridine-3,5-diyldimethanol
- IUPAC
- [5-(hydroxymethyl)-3-pyridinyl]methanol
- English name
- 3,5-Pyridinedimethanol
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
Pyridine-3,5-diyldimethanol21636-51-13,5-Dihydroxymethylpyridine3,5-pyridinedimethanol[5-(hydroxymethyl)pyridin-3-yl]methanolMFCD11617170Rupatadine Impurity 31(Pyridine-3,5-diyl)dimethanolSCHEMBL2728918SCHEMBL69721803,5-Bis(hydroxymethyl)pyridineDTXSID20603274
Show more names
[5-(hydroxymethyl)-3-pyridinyl]methanol
HYUQKAGYJAFMBA-UHFFFAOYSA-NWAA63651AKOS006315535[5-(hydroxymethyl)-3-pyridyl]methanolSB53127(5-Hydroxymethyl-pyridin-3-yl)-methanolAS-93494DB-335459
Database identifiers
- CAS
21636-51-1- PubChem CID
- 20184985
- DTXSID
DTXSID20603274- Nikkaji
- J2.201.431E
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.6
Physicochemical properties
- Boiling point
- 350.6 · 350.6±32.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol; DMSO; Water
- pka
- 13.4 · 13.40±0.10(Predicted)
- form
- Semi-solid
- color
- Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPyridine-3,5-diyldimethanol is an intermediate for the synthesis of 5’-[(Desloratadine)methyl] Rupatadine (D290270), which is an impurity of the antihistaminic drug Rupatadine (R701650).
Upstream & downstream products
Downstream products
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Compound notes
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