Methyl 2-cyano-3-(pyridin-4-YL)-prop-2-enoate
Basic information
- CAS
5768-52-5- Standard SMILES
COC(=O)C(C#N)=Cc1ccncc1- InChIKey
RBCLFTGBNHJBGD-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- Methyl 2-cyano-3-(pyridin-4-YL)-prop-2-enoate
- IUPAC
- methyl 2-cyano-3-pyridin-4-ylprop-2-enoate
Names & synonyms
METHYL 2-CYANO-3-(PYRIDIN-4-YL)-PROP-2-ENOATESCHEMBL18060164DTXSID90352444methyl 2-cyano-3-(pyridin-4-yl)prop-2-enoate
Database identifiers
- CAS
5768-52-5- PubChem CID
- 726804
- DTXSID
DTXSID90352444
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…