1-(Pyridin-2-yl)-1h-pyrrole-2,5-dione
Basic information
- CAS
67618-83-1- Standard SMILES
O=C1C=CC(=O)N1c1ccccn1- InChIKey
NNXKHUXDXSVBTB-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292744
Names & identifiers
- Preferred name
- 1-(Pyridin-2-yl)-1h-pyrrole-2,5-dione
- IUPAC
- 1-pyridin-2-ylpyrrole-2,5-dione
Names & synonyms
1-(pyridin-2-yl)-1h-pyrrole-2,5-dioneMLS0026087856952-66-5HMS3078H21NSC4703267618-83-1SCHEMBL718706CHEMBL1711492DTXSID60286686NSC-47032AKOS000249343SMR001527528
Database identifiers
- CAS
67618-83-1、6952-66-5- PubChem CID
- 240609
- DTXSID
DTXSID60286686- ChEMBL
CHEMBL1711492- Nikkaji
- J1.611.973C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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