4-Methyl-5-nitroisoquinoline-1-carbaldehyde
Basic information
- CAS
59261-41-5- Standard SMILES
Cc1cnc(C=O)c2cccc([N+](=O)[O-])c12- InChIKey
QZPMIMWEGMCUPZ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.05349212
Names & identifiers
- Preferred name
- 4-Methyl-5-nitroisoquinoline-1-carbaldehyde
- IUPAC
- 4-methyl-5-nitroisoquinoline-1-carbaldehyde
Names & synonyms
4-methyl-5-nitroisoquinoline-1-carbaldehydeMLS00311553359261-41-5NSC2817294-methyl-5-nitro-isoquinoline-1-carbaldehydeCHEMBL1898099DTXSID00314255NSC-281729SMR001831108DS-005450
Database identifiers
- CAS
59261-41-5- PubChem CID
- 323007
- DTXSID
DTXSID00314255- ChEMBL
CHEMBL1898099
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
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Related reactions
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Compound notes
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