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4-Hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester

HCID 68426701
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ncc2c(ccn2-c2ccccc2)c1O
InChIKey
NKMYEVYGHGPESN-UHFFFAOYSA-N
Molecular formula
C16H14N2O3
Average molar mass
282.29 g/mol

Names & identifiers

Preferred name
4-Hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
IUPAC
ethyl 4-hydroxy-1-phenylpyrrolo[2,3-c]pyridine-5-carboxylate

Names & synonyms

SCHEMBL2881651NKMYEVYGHGPESN-UHFFFAOYSA-N4-Hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester

Database identifiers

PubChem CID
68426701

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
371

Related reactions

5 records
New reaction record
HRID 151069 reaction equation
HRID 151069As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 642215 reaction equation
HRID 642215As productuspto-grants-2010_04
HRID 642269 reaction equation
HRID 642269As reactantuspto-grants-2010_04
HRID 642270 reaction equation
HRID 642270As reactantuspto-grants-2010_04
HRID 1120680 reaction equation
HRID 1120680As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes