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

HCID 57799411
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Basic information

Standard SMILES
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(Cl)ccn2c1=O
InChIKey
IVDGPLLUMZYFLE-UHFFFAOYSA-N
Molecular formula
C14H9BrClF3N4O
Average molar mass
421.6 g/mol
Monoisotopic mass
419.96004

Names & identifiers

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

Names & synonyms

8-bromo-7-chloro-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4481169

Database identifiers

PubChem CID
57799411

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
48.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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