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2-(3-Ethoxy-azetidin-1-yl)-5-nitro-pyridine

HCID 59301281
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC1CN(c2ccc([N+](=O)[O-])cn2)C1
InChIKey
GQUOYZFNANEUJJ-UHFFFAOYSA-N
Molecular formula
C10H13N3O3
Average molar mass
223.23 g/mol
Monoisotopic mass
223.09569129

Names & identifiers

Preferred name
2-(3-Ethoxy-azetidin-1-yl)-5-nitro-pyridine
IUPAC
2-(3-ethoxyazetidin-1-yl)-5-nitropyridine

Names & synonyms

SCHEMBL2792580GQUOYZFNANEUJJ-UHFFFAOYSA-N2-(3-ethoxy-azetidin-1-yl)-5-nitro-pyridine

Database identifiers

PubChem CID
59301281

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
71.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
250

Related reactions

4 records
New reaction record
HRID 187062 reaction equation
HRID 187062As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1127446 reaction equation
HRID 1127446As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2236198 reaction equation
HRID 2236198As productuspto-grants-2010_05
HRID 2236318 reaction equation
HRID 2236318As reactantuspto-grants-2010_05

Compound notes

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