Boscalid
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Molecular Identity
Boscalid
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
PubChem CID: 213013
Boscalid is a pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. It has a role as a xenobiotic, an environmental contaminant, an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is a member of biphenyls, a pyridinecarboxamide, a member of monochlorobenzenes and an anilide fungicide. It is functionally related to a nicotinic acid.
2D Structure
Properties
C18H12Cl2N2O
Molecular Formula
343.20
Molecular Weight
g/mol
342.0327
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
42
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
398
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Boscalid188425-85-6NicobifenEnduraEmeraldCantusPristineBAS 510F2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamideUNII-32MS8ZRD1VBas 510Bas-51032MS8ZRD1VDTXSID6034392BAS 510 F
Data from PubChem (NCBI)
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