2-[(3,4-Dimethylphenyl)amino]-3-pyridinecarbonitrile
Basic information
- CAS
121005-02-5- Standard SMILES
Cc1ccc(Nc2ncccc2C#N)cc1C- InChIKey
SUMTVTLYEQBUFQ-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 2-[(3,4-Dimethylphenyl)amino]-3-pyridinecarbonitrile
- IUPAC
- 2-(3,4-dimethylanilino)pyridine-3-carbonitrile
Names & synonyms
2-[(3,4-Dimethylphenyl)amino]-3-pyridinecarbonitrileDTXSID601219056AKOS000198094121005-02-52-(3,4-dimethylanilino)pyridine-3-carbonitrile
Database identifiers
- CAS
121005-02-5- PubChem CID
- 14224751
- DTXSID
DTXSID601219056
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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