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Ethyl 6-ethynylimidazo[1,2-a]pyridine-2-carboxylate

HCID 44136342
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1ccc2nc(C(=O)OCC)cn2c1
InChIKey
LQALROQXLXIGSZ-UHFFFAOYSA-N
Molecular formula
C12H10N2O2
Average molar mass
214.22 g/mol

Names & identifiers

Preferred name
Ethyl 6-ethynylimidazo[1,2-a]pyridine-2-carboxylate
IUPAC
ethyl 6-ethynylimidazo[1,2-a]pyridine-2-carboxylate

Names & synonyms

SCHEMBL3762711LQALROQXLXIGSZ-UHFFFAOYSA-Nethyl 6-ethynylimidazo[1,2-a]pyridine-2-carboxylateethyl 6-ethynylimidazo[1,2-alpha]pyridine-2-carboxylate

Database identifiers

PubChem CID
44136342

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
320

Related reactions

5 records
New reaction record
HRID 688397 reaction equation
HRID 688397As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1878501 reaction equation
HRID 1878501As productuspto-grants-2012_11
HRID 1878502 reaction equation
HRID 1878502As reactantuspto-grants-2012_11
HRID 2363753 reaction equation
HRID 2363753As productuspto-grants-2014_04
HRID 2363754 reaction equation
HRID 2363754As reactantuspto-grants-2014_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes