2,6-Dihydroxy-3-cyanopyridine
Basic information
- CAS
35441-10-2- Standard SMILES
N#Cc1ccc(=O)[nH]c1O- InChIKey
BFHKYHMCIAMQIN-UHFFFAOYSA-N- Molecular formula
- C6H4N2O2
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.02727738
Overview
inhibitor of 5-fluorouracil degradation
Names & identifiers
- Preferred name
- 2,6-Dihydroxy-3-cyanopyridine
- IUPAC
- 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
- English name
- 2,6-dihydroxy-3-cyanopyridine
- Molecular formula
- C6H4N2O2
- Molecular weight
- 136.11
Names & synonyms
2,6-Dihydroxy-3-cyanopyridine35441-10-23-Cyano-2,6-dihydroxypyridine2,6-CndpNSC-3298805WDJ8G2R9NDTXSID901889273-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-2-oxo-RefChem:83245DTXCID501114182,6-dihydroxynicotinonitrile2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
Show more names
2,6-dihydroxy-3-cyanopyridine ISO 9001：2015 REACH
6-hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrileMFCD115589772,6-DIHYDROXYPYRIDINE-3-CARBONITRILECHEMBL30865082-hydroxy-6-oxo-1,6-dihydropyridine-3-carbonitrileMFCD111134213-cyano-6-hydroxy-2(1h)-pyridinone1,2-dihydro-6-hydroxy-2-oxo-3-Pyridinecarbonitrile
Database identifiers
- CAS
35441-10-2- PubChem CID
- 100608
- DTXSID
DTXSID90188927- ChEMBL
CHEMBL3086508- UNII
- 5WDJ8G2R9N
- Nikkaji
- J325.896C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 255 °C · 255 °C(Solv: ethanol (64-17-5))
- Boiling point
- 349.9 · 349.9±42.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.51 · 3.51±0.58(Predicted)
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 5 WDJ8G2R9N · 5WDJ8G2R9N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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