3-Hydroxy-6-methoxypicolinonitrile
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Basic information
- CAS
727736-72-3- Standard SMILES
COc1ccc(O)c(C#N)n1- InChIKey
OQUREYPMUITCKN-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-6-methoxypicolinonitrile
- IUPAC
- 3-hydroxy-6-methoxypyridine-2-carbonitrile
- English name
- 2-Pyridinecarbonitrile, 3-hydroxy-6-methoxy- (9CI)
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
3-Hydroxy-6-methoxypicolinonitrile727736-72-32-Pyridinecarbonitrile, 3-hydroxy-6-methoxy-SCHEMBL13291171DB-2710023-Hydroxy-6-methoxy-2-pyridinecarbonitrile3-Hydroxy-6-methoxy-pyridine-2-carbonitrile2-Pyridinecarbonitrile, 3-hydroxy-6-methoxy- (9CI)
Database identifiers
- CAS
727736-72-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 404.6 · 404.6±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 1.21 · 1.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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