Basic information
- Standard SMILES
CC(C)(C#N)C(O)c1ccncc1- InChIKey
DSIPHFDYAHGJKY-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-2,2-dimethyl-3-(4-pyridyl)propionitrile
- IUPAC
- 3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropanenitrile
Names & synonyms
SCHEMBL1678016DSIPHFDYAHGJKY-UHFFFAOYSA-NAKOS0176884163-hydroxy-2,2-dimethyl-3-(4-pyridyl)propionitrile
Database identifiers
- PubChem CID
- 11137656
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
9 records
Compound notes
Loading…