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4-(4-Amino-3-nitro-phenoxy)-pyridine-2-carboxylic acid dimethylamide

HCID 21037294
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)C(=O)c1cc(Oc2ccc(N)c([N+](=O)[O-])c2)ccn1
InChIKey
XYEZVBVOGISFDY-UHFFFAOYSA-N
Molecular formula
C14H14N4O4
Average molar mass
302.29 g/mol

Names & identifiers

Preferred name
4-(4-Amino-3-nitro-phenoxy)-pyridine-2-carboxylic acid dimethylamide
IUPAC
4-(4-amino-3-nitrophenoxy)-N,N-dimethylpyridine-2-carboxamide

Names & synonyms

SCHEMBL2893113XYEZVBVOGISFDY-UHFFFAOYSA-N4-(4-Amino-3-nitro-phenoxy)-pyridine-2-carboxylic acid dimethylamide

Database identifiers

PubChem CID
21037294

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
412

Related reactions

4 records
New reaction record
HRID 13522 reaction equation
HRID 13522As productuspto-grants-2010_06
HRID 281511 reaction equation
HRID 281511As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1915699 reaction equation
HRID 1915699As productuspto-grants-2013_12
HRID 2070322 reaction equation
HRID 2070322As productuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes