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3-{4-[4-Bromo-3-(trifluoromethyl)phenoxy]phenyl}pyridin-2-amine

HCID 66748677
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ncccc1-c1ccc(Oc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIKey
WCBJXUAYESUDLN-UHFFFAOYSA-N
Molecular formula
C18H12BrF3N2O
Average molar mass
409.2 g/mol

Names & identifiers

Preferred name
3-{4-[4-Bromo-3-(trifluoromethyl)phenoxy]phenyl}pyridin-2-amine
IUPAC
3-[4-[4-bromo-3-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine

Names & synonyms

3-{4-[4-bromo-3-(trifluoromethyl)phenoxy]phenyl}pyridin-2-amineSCHEMBL625099

Database identifiers

PubChem CID
66748677

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
48.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
429

Related reactions

5 records
New reaction record
HRID 676488 reaction equation
HRID 676488As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1405930 reaction equation
HRID 1405930As productuspto-grants-2014_12
HRID 1622863 reaction equation
HRID 1622863As productuspto-grants-2014_07
HRID 1748128 reaction equation
HRID 1748128As productuspto-grants-2015_10
HRID 2036016 reaction equation
HRID 2036016As productuspto-grants-2013_11

Compound notes

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