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Compound
2-chloro-N,N,5-trimethylnicotinamide
HCID
21473403
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
Cc1cnc(Cl)c(C(=O)N(C)C)c1
InChIKey
KIAPVODWNUQKCK-UHFFFAOYSA-N
Molecular formula
C9H11ClN2O
Average molar mass
198.65 g/mol
Names & identifiers
Preferred name
2-chloro-N,N,5-trimethylnicotinamide
IUPAC
2-chloro-N,N,5-trimethylpyridine-3-carboxamide
Names & synonyms
SCHEMBL8828399
KIAPVODWNUQKCK-UHFFFAOYSA-N
2-chloro-N,N,5-trimethylnicotinamide
Database identifiers
PubChem CID
21473403
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
196
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
93371
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
2294128
As product
uspto-grants-1997_11
Compound notes
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