1-Methoxy-5-nitroisoquinoline

HCID 830681
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Basic information

Standard SMILES
COc1nccc2c([N+](=O)[O-])cccc12
InChIKey
CAXSRYRPMLQNHD-UHFFFAOYSA-N
Molecular formula
C10H8N2O3
Average molar mass
204.18 g/mol

Names & identifiers

Preferred name
1-Methoxy-5-nitroisoquinoline
IUPAC
1-methoxy-5-nitroisoquinoline

Names & synonyms

1-methoxy-5-nitroisoquinoline72678-03-6Oprea1_0780945-nitro-1-methoxyisoquinolineSCHEMBL9195884CAXSRYRPMLQNHD-UHFFFAOYSA-NAF-956/37360002

Database identifiers

PubChem CID
830681

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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