3-(2-Pyridyl)acrylonitrile
Basic information
- CAS
100949-40-4- Standard SMILES
N#CC=Cc1ccccn1- InChIKey
ZIMQURWVGPGVMM-UHFFFAOYSA-N- Molecular formula
- C8H6N2
- Average molar mass
- 130.15 g/mol
Names & identifiers
- Preferred name
- 3-(2-Pyridyl)acrylonitrile
- IUPAC
- 3-pyridin-2-ylprop-2-enenitrile
- English name
- 2-Propenenitrile,3-(2-pyridinyl)-(9CI)
- Molecular formula
- C8H6N2
- Molecular weight
- 130.15
Names & synonyms
3-(2-Pyridyl)acrylonitrile(E)-3-(2-pyridyl)prop-2-enenitrile3-pyridin-2-yl-acrylonitrileSCHEMBL2949810SCHEMBL16517062SCHEMBL16517063ZIMQURWVGPGVMM-UHFFFAOYSA-N3-(2-pyridinyl)-2-propenenitrilePBA077592-Propenenitrile, 3-(2-pyridinyl)-AKOS017436122SY147486
Show more names
3-(Pyridin-2-yl)prop-2-enenitrile2-Propenenitrile,3-(2-pyridinyl)-(9CI)
DB-270910
Database identifiers
- CAS
100949-40-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 83.5 °C · 83.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 160 °C · 160 °C(Press: 9 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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