4'-Amino-3-(2-pyridyl)acrylophenone
Basic information
- CAS
5325-89-3- Standard SMILES
Nc1ccc(C(=O)/C=C/c2ccccn2)cc1- InChIKey
IQLLDNFSIXBVLW-CMDGGOBGSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 4'-Amino-3-(2-pyridyl)acrylophenone
- IUPAC
- (E)-1-(4-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
Names & synonyms
4'-Amino-3-(2-pyridyl)acrylophenone49HYN2ZED7ACRYLOPHENONE, 4'-AMINO-3-(2-PYRIDYL)-NSC-2315325-89-3RefChem:10690234'-Amino-2-azachalkon [Czech]NSC 2314'-Amino-2-azachalkonBRN 0009829NSC231UNII-49HYN2ZED7
Show more names
5-22-13-00122 (Beilstein Handbook Reference)SCHEMBL6490600IQLLDNFSIXBVLW-CMDGGOBGSA-N1-(4-Aminophenyl)-3-(2-pyridinyl)-2-propen-1-one2-Propen-1-one, 1-(4-aminophenyl)-3-(2-pyridinyl)-(2E)-1-(4-aminophenyl)-3-(2-pyridinyl)-2-propen-1-one
Database identifiers
- CAS
5325-89-3- PubChem CID
- 5354064
- UNII
- 49HYN2ZED7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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