3-(2-ethoxypyridin-3-yl)-6-fluoro-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

HCID 67087458

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOc1ncccc1C1(O)C(=O)Nc2cc(F)c(C#N)cc21
InChIKey: YZKCVIQVGMTHJP-UHFFFAOYSA-N
Molecular formula: C16H12FN3O3
Average molar mass: 313.28 g/mol

Names & identifiers

Preferred name: 3-(2-ethoxypyridin-3-yl)-6-fluoro-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile
IUPAC: 3-(2-ethoxy-3-pyridinyl)-6-fluoro-3-hydroxy-2-oxo-1H-indole-5-carbonitrile

Names & synonyms

SCHEMBL1588379YZKCVIQVGMTHJP-UHFFFAOYSA-N3-(2-ethoxypyridin-3-yl)-6-fluoro-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

Database identifiers

PubChem CID: 67087458

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 522

Related reactions

10 records

New reaction record

HRID 57190As productuspto-grants-2016_09

HRID 57191As reactantuspto-grants-2016_09

HRID 57195As reactantuspto-grants-2016_09

HRID 57198As reactantuspto-grants-2016_09

HRID 189551As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 687122As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1035837As productuspto-grants-2013_10

HRID 1035838As reactantuspto-grants-2013_10

Compound notes

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