Pyridine-3,5-diol
Basic information
- CAS
3543-02-0- Standard SMILES
Oc1cncc(O)c1- InChIKey
DSNXVCDIWGFMOI-UHFFFAOYSA-N- Molecular formula
- C5H5NO2
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.0320284
Names & identifiers
- Preferred name
- Pyridine-3,5-diol
- IUPAC
- pyridine-3,5-diol
- English name
- 3,5-Dihydroxypyridine
- Molecular formula
- C5H5NO2
- Molecular weight
- 111.1
Names & synonyms
Pyridine-3,5-diol3543-02-03,5-pyridinediolEINECS 222-585-3DTXSID80188911RefChem:870741DTXCID40111402222-585-33,5-DihydroxypyridineMFCD01860225DH4N289BYDUNII-DH4N289BYD
Show more names
3,5-Dihydroxypyridine 98%2-(4-Morpholinyl)-4-pyridinecarboxylic acid tert-butyl ester
3-hydroxy-5-hydroxy-pyridineSCHEMBL1443174SCHEMBL3819587SCHEMBL9372107DSNXVCDIWGFMOI-UHFFFAOYSA-NAKOS006279345CS-W002833MB02073
Database identifiers
- CAS
3543-02-0- PubChem CID
- 77081
- DTXSID
DTXSID80188911- UNII
- DH4N289BYD
- EC Number
- 222-585-3
- Nikkaji
- J216.186I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.8
Physicochemical properties
- Melting point
- 240 ℃ · 240℃
- Boiling point
- 441 ℃ · 441℃
- Density
- 1.397 · 1.397
- Flash point
- 221 ℃ · 221℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.77 · 8.77±0.10(Predicted)
- Appearance
- White to light brown Solid
- FDA UNII
- 4 N289BYD · DH4N289BYD
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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