8-bromo-7-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799357
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Basic information

Standard SMILES
O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(Cl)ccn12
InChIKey
NQRBMJRKSYCGNG-UHFFFAOYSA-N
Molecular formula
C13H7BrClF3N4O
Average molar mass
407.57 g/mol

Names & identifiers

Preferred name
8-bromo-7-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC
8-bromo-7-chloro-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

8-bromo-7-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4493307

Database identifiers

PubChem CID
57799357

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
48.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

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