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2-(3-Fluoropropoxy)-5-bromopyridine (HCID 68496151)|Huagongshe
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Compound
2-(3-Fluoropropoxy)-5-bromopyridine
HCID
68496151
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
FCCCOc1ccc(Br)cn1
InChIKey
NGFLKGVNVYHBSY-UHFFFAOYSA-N
Molecular formula
C8H9BrFNO
Average molar mass
234.07 g/mol
Names & identifiers
Preferred name
2-(3-Fluoropropoxy)-5-bromopyridine
IUPAC
5-bromo-2-(3-fluoropropoxy)pyridine
Names & synonyms
SCHEMBL3056766
NGFLKGVNVYHBSY-UHFFFAOYSA-N
2-(3-fluoropropoxy)-5-bromopyridine
AKOS032967693
Database identifiers
PubChem CID
68496151
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
126
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
302453
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
454807
As product
uspto-grants-2013_07
Compound notes
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