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5-(2-Chloropyrimidin-4-yl)thiophene-2-carbonitrile

HCID 57428836
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(-c2ccnc(Cl)n2)s1
InChIKey
DELDVBROLQBKBY-UHFFFAOYSA-N
Molecular formula
C9H4ClN3S
Average molar mass
221.67 g/mol

Names & identifiers

Preferred name
5-(2-Chloropyrimidin-4-yl)thiophene-2-carbonitrile
IUPAC
5-(2-chloropyrimidin-4-yl)thiophene-2-carbonitrile

Names & synonyms

893441-83-35-(2-chloropyrimidin-4-yl)thiophene-2-carbonitrileSCHEMBL2986687DELDVBROLQBKBY-UHFFFAOYSA-NAKOS017623868DA-01415

Database identifiers

PubChem CID
57428836

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
77.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
252

Related reactions

3 records
New reaction record
HRID 103448 reaction equation
HRID 103448As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 507581 reaction equation
HRID 507581As productuspto-grants-2010_08
HRID 2267357 reaction equation
HRID 2267357As productuspto-grants-2010_12

Compound notes

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