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6-Chloro-2-propoxy-nicotinamide (HCID 57968700)|Huagongshe
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Compound
6-Chloro-2-propoxy-nicotinamide
HCID
57968700
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCCOc1nc(Cl)ccc1C(N)=O
InChIKey
UXPNLOZALMIULQ-UHFFFAOYSA-N
Molecular formula
C9H11ClN2O2
Average molar mass
214.65 g/mol
Names & identifiers
Preferred name
6-Chloro-2-propoxy-nicotinamide
IUPAC
6-chloro-2-propoxypyridine-3-carboxamide
Names & synonyms
SCHEMBL2526740
6-Chloro-2-propoxy-nicotinamide
UXPNLOZALMIULQ-UHFFFAOYSA-N
Database identifiers
PubChem CID
57968700
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
65.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
201
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Show all 8 / 8
Related reactions
14 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
89817
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1255741
As product
uspto-grants-2013_06
HRID
1255742
As reactant
uspto-grants-2013_06
HRID
1255749
As reactant
uspto-grants-2013_06
HRID
1471598
As product
uspto-grants-2015_04
HRID
1471599
As reactant
uspto-grants-2015_04
HRID
1471606
As reactant
uspto-grants-2015_04
HRID
1483749
As product
uspto-grants-2016_08
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