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1-ethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

HCID 86646465
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1c(-c2cccnc2)c(C=O)c2ccccc21
InChIKey
YIUHCJCGOBLQJA-UHFFFAOYSA-N
Molecular formula
C16H14N2O
Average molar mass
250.29 g/mol

Names & identifiers

Preferred name
1-ethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
IUPAC
1-ethyl-2-pyridin-3-ylindole-3-carbaldehyde

Names & synonyms

SCHEMBL1606149YIUHCJCGOBLQJA-UHFFFAOYSA-N1-ethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

Database identifiers

PubChem CID
86646465

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
320

Related reactions

4 records
New reaction record
HRID 181333 reaction equation
HRID 181333As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 593563 reaction equation
HRID 593563As reactantuspto-grants-2016_01
HRID 1630834 reaction equation
HRID 1630834As reactantuspto-grants-2014_07
HRID 1661608 reaction equation
HRID 1661608As reactantuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes