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3-[(6-Bromopyridin-2-yl)methyl]-4-fluorobenzonitrile

HCID 57700372
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(F)c(Cc2cccc(Br)n2)c1
InChIKey
OPQZNTVOACDCEQ-UHFFFAOYSA-N
Molecular formula
C13H8BrFN2
Average molar mass
291.12 g/mol

Names & identifiers

Preferred name
3-[(6-Bromopyridin-2-yl)methyl]-4-fluorobenzonitrile
IUPAC
3-[(6-bromo-2-pyridinyl)methyl]-4-fluorobenzonitrile

Names & synonyms

SCHEMBL1244692OPQZNTVOACDCEQ-UHFFFAOYSA-N3-[(6-bromopyridin-2-yl)methyl]-4-fluorobenzonitrile

Database identifiers

PubChem CID
57700372

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
301

Related reactions

4 records
New reaction record
HRID 1360679 reaction equation
HRID 1360679As productuspto-grants-2011_02
HRID 1360680 reaction equation
HRID 1360680As reactantuspto-grants-2011_02
HRID 1540439 reaction equation
HRID 1540439As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2160310 reaction equation
HRID 2160310As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes