1-(2,6-Dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Basic information
- CAS
338964-95-7- Standard SMILES
Cc1ccc(-c2cc(C#N)c(=O)n(Cc3c(Cl)cccc3Cl)c2)cc1- InChIKey
WCIVZHUWXNSBKG-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N2O
- Average molar mass
- 369.2 g/mol
Overview
1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile is a phenylpyridine.
Names & identifiers
- Preferred name
- 1-(2,6-Dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- IUPAC
- 1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
- English name
- 1-(2,6-Dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C20H14Cl2N2O
- Molecular weight
- 369.24
Names & synonyms
338964-95-71-(2,6-dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrileSMR0001698211-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrileMLS0003255321-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrileBionet1_001663Oprea1_499298CHEMBL1504624BDBM83523cid_3638388
Show more names
3-Pyridinecarbonitrile, 1-[(2,6-dichlorophenyl)methyl]-1,2-dihydro-5-(4-methylphenyl)-2-oxo-
HMS572P05CHEBI:105892HMS2456C17MFCD00232521AKOS0050971996J-588SQ271836801-(2,6-dichlorobenzyl)-2-keto-5-(p-tolyl)nicotinonitrile
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Boiling point
- 550.7 · 550.7±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -4.6 · -4.60±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile is a phenylpyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…