1-Allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
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Basic information
- CAS
338423-51-1- Standard SMILES
C=CCn1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O- InChIKey
RJUZZPVFNFUGFK-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O
- Average molar mass
- 270.71 g/mol
Names & identifiers
- Preferred name
- 1-Allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- IUPAC
- 5-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
- English name
- 1-Allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C15H11ClN2O
- Molecular weight
- 270.71
Names & synonyms
338423-51-11-allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile5-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrileMFCD002315415-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile1-Allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrileOprea1_547216MLS000539952CHEMBL1586166HMS2163C04HMS3325C05AKOS015992775
Show more names
3-Pyridinecarbonitrile, 5-(4-chlorophenyl)-1,2-dihydro-2-oxo-1-(2-propen-1-yl)-
4J-380SSMR000125410CS-03580821-allyl-5-(4-chlorophenyl)-2-oxo-pyridine-3-carbonitrile
Database identifiers
- CAS
338423-51-1- ChEMBL
CHEMBL1586166
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 435.2 · 435.2±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -5.07 · -5.07±0.70(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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