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6-Chloro-N-(4-ethoxy-2-nitrophenyl)-3-pyridinecarboxamide

HCID 9840127
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1ccc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c1
InChIKey
AZTZYBQIAKREOS-UHFFFAOYSA-N
Molecular formula
C14H12ClN3O4
Average molar mass
321.71 g/mol

Names & identifiers

Preferred name
6-Chloro-N-(4-ethoxy-2-nitrophenyl)-3-pyridinecarboxamide
IUPAC
6-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide

Names & synonyms

CHEMBL79406SCHEMBL6705961AZTZYBQIAKREOS-UHFFFAOYSA-N6-Chloro-N-(4-ethoxy-2-nitrophenyl)-3-pyridinecarboxamide

Database identifiers

PubChem CID
9840127
ChEMBL
CHEMBL79406

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
97 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
404

Related reactions

4 records
New reaction record
HRID 210062 reaction equation
HRID 210062As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1007184 reaction equation
HRID 1007184As productuspto-grants-2004_09
HRID 1007204 reaction equation
HRID 1007204As reactantuspto-grants-2004_09
HRID 1537044 reaction equation
HRID 1537044As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes