Basic information
- CAS
15831-41-1- Standard SMILES
CN1C=C(C#N)C=C(C(N)=O)C1- InChIKey
PJUYDKLUJTWPED-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
Names & identifiers
- Preferred name
- 5-cyano-1-methyl-2H-pyridine-3-carboxamide
- IUPAC
- 5-cyano-1-methyl-2H-pyridine-3-carboxamide
- English name
- Nicotinamide, 5-cyano-1,2-dihydro-1-methyl- (8CI)
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.18
Names & synonyms
15831-41-1DB-288202NICOTINAMIDE, 5-CYANO-1,2-DIHYDRO-1-METHYL-Nicotinamide, 5-cyano-1,2-dihydro-1-methyl- (8CI)3-Pyridinecarboxamide, 5-cyano-1,2-dihydro-1-methyl-
Database identifiers
- CAS
15831-41-1
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 344.3 · 344.3±42.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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