6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-difluorophenoxy)nicotinonitrile

HCID 44440992
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Basic information

Standard SMILES
N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1Oc1ccc(F)c(F)c1
InChIKey
MLXAGNPFIQLVNQ-UHFFFAOYSA-N
Molecular formula
C24H12Cl2F2N2O
Average molar mass
453.3 g/mol
Monoisotopic mass
452.0294747

Names & identifiers

Preferred name
6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-difluorophenoxy)nicotinonitrile
IUPAC
6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile

Names & synonyms

CHEMBL2469316-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-difluorophenoxy)nicotinonitrileSCHEMBL5355178MLXAGNPFIQLVNQ-UHFFFAOYSA-NBDBM50204202

Database identifiers

PubChem CID
44440992
ChEMBL
CHEMBL246931

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
45.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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