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4-Bromo-2-hydrazinyl-3-iodopyridine

HCID 57799445
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
917969-52-9
Standard SMILES
NNc1nccc(Br)c1I
InChIKey
ITTQYIFBRJKSLD-UHFFFAOYSA-N
Molecular formula
C5H5BrIN3
Average molar mass
313.92 g/mol
Monoisotopic mass
312.87115726

Names & identifiers

Preferred name
4-Bromo-2-hydrazinyl-3-iodopyridine
IUPAC
(4-bromo-3-iodo-2-pyridinyl)hydrazine

Names & synonyms

4-bromo-2-hydrazinyl-3-iodopyridine917969-52-9Pyridine, 4-bromo-2-hydrazinyl-3-iodo-SCHEMBL4486450DTXSID60727943ITTQYIFBRJKSLD-UHFFFAOYSA-NDB-205764

Database identifiers

CAS
917969-52-9
PubChem CID
57799445
DTXSID
DTXSID60727943

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
50.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
113

Related reactions

3 records
New reaction record
HRID 699997 reaction equation
HRID 699997As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2101348 reaction equation
HRID 2101348As productuspto-grants-2009_08
HRID 2101349 reaction equation
HRID 2101349As reactantuspto-grants-2009_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes