7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile
Basic information
- CAS
102072-81-1- Standard SMILES
N#CC1=C(O)c2ccncc2C(=O)C1=O- InChIKey
ZPHJVKARMANJIT-UHFFFAOYSA-N- Molecular formula
- C10H4N2O3
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 200.02219199
Names & identifiers
- Preferred name
- 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile
- IUPAC
- 5-hydroxy-7,8-dioxoisoquinoline-6-carbonitrile
Names & synonyms
102072-81-17-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile6-Isoquinolinecarbonitrile, 5,8-dihydro-7-hydroxy-5,8-dioxo-5,8-Dihydro-7-hydroxy-5,8-dioxo-6-isoquinolinecarbonitrile5-hydroxy-7,8-dioxoisoquinoline-6-carbonitrileDTXSID909070745-hydroxy-7,8-dioxo-7,8-dihydroisoquinoline-6-carbonitrile
Database identifiers
- CAS
102072-81-1- PubChem CID
- 149158
- DTXSID
DTXSID90907074
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 416
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Related reactions
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Compound notes
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