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1,3-Dimethyl-5-nitroisoquinoline

HCID 57456780
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc2c([N+](=O)[O-])cccc2c(C)n1
InChIKey
ZGMOVZMXQTVQSO-UHFFFAOYSA-N
Molecular formula
C11H10N2O2
Average molar mass
202.21 g/mol

Names & identifiers

Preferred name
1,3-Dimethyl-5-nitroisoquinoline
IUPAC
1,3-dimethyl-5-nitroisoquinoline

Names & synonyms

1,3-dimethyl-5-nitroisoquinoline121221-13-4SCHEMBL1351402ZGMOVZMXQTVQSO-UHFFFAOYSA-NDA-30249

Database identifiers

PubChem CID
57456780

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
251

Related reactions

6 records
New reaction record
HRID 490293 reaction equation
HRID 490293As productuspto-grants-2009_05
HRID 490294 reaction equation
HRID 490294As reactantuspto-grants-2009_05
HRID 559475 reaction equation
HRID 559475As productuspto-grants-2011_11
HRID 559476 reaction equation
HRID 559476As reactantuspto-grants-2011_11
HRID 1224667 reaction equation
HRID 1224667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1552623 reaction equation
HRID 1552623As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes