5-Hydroxy-2-hydroxymethylpyridine
Basic information
- CAS
40222-77-3- Standard SMILES
OCc1ccc(O)cn1- InChIKey
NESFDGDRYVANBC-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Overview
5-Hydroxy-2-pyridinemethanol is a hydroxypyridine.
Names & identifiers
- Preferred name
- 5-Hydroxy-2-hydroxymethylpyridine
- IUPAC
- 6-(hydroxymethyl)pyridin-3-ol
- English name
- 2-Pyridinemethanol,5-hydroxy-(6CI,9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
5-hydroxy-2-hydroxymethylpyridineRefChem:1040936-(hydroxymethyl)pyridin-3-ol40222-77-35-Hydroxy-2-pyridinemethanol2-Hydroxymethyl-5-hydroxypyridineMFCD162495682-Pyridinemethanol, 5-hydroxy-5-Hydroxypyridine-2-methanol5-hydroxy-2-pyridine methanolCHEMBL19172842-Pyridinemethanol,5-hydroxy-(6CI,9CI)
Show more names
5-hydroxy-2-pyridylmethanol2-PyridineMethanol,5-hydroxy-6-(HydroxyMethyl)pyridine-3-ol3-Hydroxy-6-(hydroxymethyl)pyridine2-(Hydroxymethyl)-5-hydroxypyridine2-Hydroxymethyl-5-hydroxypyridine, 10 mM in DMSO
6-hydroxymethyl-3-pyridinol6-(Hydroxymethyl)-3-pyridinol7AGA3H2D39orb1303237SCHEMBL1924446SCHEMBL6592524SCHEMBL27745999DTXSID10329330
Database identifiers
- CAS
40222-77-3- PubChem CID
- 419490
- DTXSID
DTXSID10329330- ChEMBL
CHEMBL1917284- ChEBI
CHEBI:229020- UNII
- 7AGA3H2D39
- EC Number
- 817-868-9
- Nikkaji
- J995.330B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Melting point
- 123 · 123-125℃
- Boiling point
- 419.5 · 419.5±30.0 °C(Predicted)
- Density
- 1.318 · 1.318
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 9.07 · 9.07±0.10(Predicted)
- form
- Solid
- color
- Yellow to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Hydroxymethyl-5-hydroxypyridine is isolated from the the matured, ripened and dried seeds of S. lychnophora.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
7 records
Compound notes
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