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2-Chloro-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)nicotinonitrile

HCID 10150677
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Cl
InChIKey
JIWIQRVNRXHQFB-UHFFFAOYSA-N
Molecular formula
C18H8Cl4N2
Average molar mass
394.1 g/mol

Names & identifiers

Preferred name
2-Chloro-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)nicotinonitrile
IUPAC
2-chloro-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

Names & synonyms

SCHEMBL3626666JIWIQRVNRXHQFB-UHFFFAOYSA-N2-Chloro-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)nicotinonitrile2-chloro-6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyridine-3-carbonitrile

Database identifiers

PubChem CID
10150677

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
471

Related reactions

9 records
New reaction record
HRID 13801 reaction equation
HRID 13801As productuspto-grants-2010_06
HRID 13802 reaction equation
HRID 13802As reactantuspto-grants-2010_06
HRID 13823 reaction equation
HRID 13823As reactantuspto-grants-2010_06
HRID 13831 reaction equation
HRID 13831As reactantuspto-grants-2010_06
HRID 314808 reaction equation
HRID 314808As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 832503 reaction equation
HRID 832503As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 916939 reaction equation
HRID 916939As reactantuspto-grants-2007_09
HRID 916940 reaction equation
HRID 916940As reactantuspto-grants-2007_09
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Compound notes

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