Basic information
- CAS
27531-42-6- Standard SMILES
Cc1ccccc1C1C=CC(C#N)=CN1C- InChIKey
MEODBDXANHGBQC-UHFFFAOYSA-N- Molecular formula
- C14H14N2
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.11569846
Names & identifiers
- Preferred name
- 1-Methyl-6-(2-methylphenyl)-1,6-dihydro-3-pyridinecarbonitrile
- IUPAC
- 1-methyl-2-(2-methylphenyl)-2H-pyridine-5-carbonitrile
Names & synonyms
1-Methyl-6-(2-methylphenyl)-1,6-dihydro-3-pyridinecarbonitrile27531-42-6DTXSID60299776RefChem:231963DTXCID90250911NSC132810MEODBDXANHGBQC-UHFFFAOYSA-NNSC-1328101-Methyl-6-(2-methylphenyl)-1,6-dihydro-3-pyridinecarbonitrile #1-methyl-6-(2-methylphenyl)-1,6-dihydropyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,6-dihydro-1-methyl-6-(2-methylphenyl)-
Database identifiers
- CAS
27531-42-6- PubChem CID
- 280700
- DTXSID
DTXSID60299776
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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