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3-Bromo-2-ethyl-imidazo[1,2-a]pyridine

HCID 21912741
NotesReactions

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Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nc2ccccn2c1Br
InChIKey
YKRSPYRGSQJAFP-UHFFFAOYSA-N
Molecular formula
C9H9BrN2
Average molar mass
225.08 g/mol
Monoisotopic mass
223.99491

Names & identifiers

Preferred name
3-Bromo-2-ethyl-imidazo[1,2-a]pyridine
IUPAC
3-bromo-2-ethylimidazo[1,2-a]pyridine

Names & synonyms

3-bromo-2-ethyl-imidazo[1,2-a]pyridine301221-51-23-BROMO-2-ETHYLIMIDAZO[1,2-A]PYRIDINESCHEMBL5762843YKRSPYRGSQJAFP-UHFFFAOYSA-NDA-07168EN300-1197183

Database identifiers

PubChem CID
21912741

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
17.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
163

Related reactions

13 records
New reaction record
HRID 278245 reaction equation
HRID 278245As productuspto-grants-2002_03
HRID 278246 reaction equation
HRID 278246As reactantuspto-grants-2002_03
HRID 1068230 reaction equation
HRID 1068230As productuspto-grants-2001_06
HRID 1068231 reaction equation
HRID 1068231As reactantuspto-grants-2001_06
HRID 1236590 reaction equation
HRID 1236590As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1245569 reaction equation
HRID 1245569As productuspto-grants-2006_10
HRID 1245570 reaction equation
HRID 1245570As reactantuspto-grants-2006_10
HRID 1357931 reaction equation
HRID 1357931As productuspto-grants-2003_07
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Compound notes

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