2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
Basic information
- CAS
252059-99-7- Standard SMILES
Cc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N- InChIKey
MGZAAXJGZDYWMW-UHFFFAOYSA-N- Molecular formula
- C19H12ClFN2O
- Average molar mass
- 338.8 g/mol
Overview
2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)-3-pyridinecarbonitrile is a phenylpyridine.
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
- IUPAC
- 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
- English name
- 2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)nicotinonitrile
- Molecular formula
- C19H12ClFN2O
- Molecular weight
- 338.76
Names & synonyms
2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile252059-99-72-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)nicotinonitrileMLS000325757Oprea1_024896CHEMBL1426976CHEBI:105131HMS2396N21AKOS00507483510H-542SSMR000169673Q27182826
Show more names
3-Pyridinecarbonitrile, 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)-
2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)-3-pyridinecarbonitrile
Database identifiers
- CAS
252059-99-7- ChEMBL
CHEMBL1426976- ChEBI
CHEBI:105131
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 468 · 468.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -1.59 · -1.59±0.27(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)-3-pyridinecarbonitrile is a phenylpyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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