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2-chloro-N,N,5-trimethylnicotinamide

HCID 21473403
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound 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

SCHEMBL8828399KIAPVODWNUQKCK-UHFFFAOYSA-N2-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

Related reactions

2 records
New reaction record
HRID 93371 reaction equation
HRID 93371As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2294128 reaction equation
HRID 2294128As productuspto-grants-1997_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes