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N-cyano-N'-(3,4-dichlorobenzyl)-4-pyridinecarboximidamide

HCID 19734564
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CNC(=NCc1ccc(Cl)c(Cl)c1)c1ccncc1
InChIKey
SPXKFOJFHOCBQP-UHFFFAOYSA-N
Molecular formula
C14H10Cl2N4
Average molar mass
305.2 g/mol
Monoisotopic mass
304.0282517

Names & identifiers

Preferred name
N-cyano-N'-(3,4-dichlorobenzyl)-4-pyridinecarboximidamide
IUPAC
N-cyano-N'-[(3,4-dichlorophenyl)methyl]pyridine-4-carboximidamide

Names & synonyms

SCHEMBL9218915SCHEMBL9218918SCHEMBL9218923SPXKFOJFHOCBQP-UHFFFAOYSA-NN-cyano N'-(3,4 dichlorobenzyl)-4-pyridinecarboximidamideN-cyano-N'-(3,4-dichlorobenzyl)-4-pyridinecarboximidamide

Database identifiers

PubChem CID
19734564

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
61.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
384

Related reactions

4 records
New reaction record
HRID 327124 reaction equation
HRID 327124As productuspto-grants-1993_12
HRID 374175 reaction equation
HRID 374175As productuspto-grants-1992_11
HRID 1208401 reaction equation
HRID 1208401As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1588549 reaction equation
HRID 1588549As productuspto-grants-1993_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes