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5-Bromo-3-chloro-2-(4-octyloxyphenyl)pyridine

HCID 19050004
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCOc1ccc(-c2ncc(Br)cc2Cl)cc1
InChIKey
HFPWRCARGDQHNU-UHFFFAOYSA-N
Molecular formula
C19H23BrClNO
Average molar mass
396.7 g/mol

Names & identifiers

Preferred name
5-Bromo-3-chloro-2-(4-octyloxyphenyl)pyridine
IUPAC
5-bromo-3-chloro-2-(4-octoxyphenyl)pyridine

Names & synonyms

SCHEMBL8877513HFPWRCARGDQHNU-UHFFFAOYSA-N5-bromo-3-chloro-2-(4-octyloxyphenyl)pyridine

Database identifiers

PubChem CID
19050004

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
23
Formal charge
0
Complexity
310

Related reactions

6 records
New reaction record
HRID 181180 reaction equation
HRID 181180As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 665829 reaction equation
HRID 665829As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 813491 reaction equation
HRID 813491As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1780061 reaction equation
HRID 1780061As productuspto-grants-1997_05
HRID 1780062 reaction equation
HRID 1780062As reactantuspto-grants-1997_05
HRID 1780067 reaction equation
HRID 1780067As reactantuspto-grants-1997_05

Compound notes

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