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2-[(5-Bromopyridin-3-yl)oxy]acetonitrile

HCID 64205667
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCOc1cncc(Br)c1
InChIKey
NWUPHDLAMCMJLD-UHFFFAOYSA-N
Molecular formula
C7H5BrN2O
Average molar mass
213.03 g/mol

Names & identifiers

Preferred name
2-[(5-Bromopyridin-3-yl)oxy]acetonitrile
IUPAC
2-[(5-bromo-3-pyridinyl)oxy]acetonitrile

Names & synonyms

2-[(5-Bromopyridin-3-yl)oxy]acetonitrile1112983-11-52-(5-bromopyridin-3-yl)oxyacetonitrile2-((5-Bromopyridin-3-yl)oxy)acetonitrileSCHEMBL449078NWUPHDLAMCMJLD-UHFFFAOYSA-NMFCD18254216AKOS0135258402-(5-bromopyridin-3-yloxy)acetonitrile2-[(5-bromo-3-pyridyl)oxy]acetonitrileA1-12978

Database identifiers

PubChem CID
64205667

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
45.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
165

Related reactions

5 records
New reaction record
HRID 92241 reaction equation
HRID 92241As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2077589 reaction equation
HRID 2077589As productuspto-grants-2011_04
HRID 2077591 reaction equation
HRID 2077591As reactantuspto-grants-2011_04
HRID 2077593 reaction equation
HRID 2077593As reactantuspto-grants-2011_04
HRID 2332165 reaction equation
HRID 2332165As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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