Basic information
- CAS
6602-17-1- Standard SMILES
COc1ccc(C=C(C#N)c2ccccn2)cc1OC- InChIKey
QXSRLZYSIFQJJS-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 2-(2-Pyridyl)-3-(3,4-dimethoxy-phenyl)-2-propenenitrile
- IUPAC
- 3-(3,4-dimethoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
Names & synonyms
6602-17-1AC1L8D9J3-(3,4-dimethoxyphenyl)-2-(pyridin-2-yl)prop-2-enenitrileSCHEMBL19570762-(2-pyridyl)-3-(3,4-dimethoxy-phenyl)-2-propenenitrileDTXSID60327482QXSRLZYSIFQJJS-UHFFFAOYSA-NAKOS030653299NCI60_020948
Database identifiers
- CAS
6602-17-1- PubChem CID
- 377730
- DTXSID
DTXSID60327482
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
4 records
Compound notes
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