methyl 3-fluoro-1H-indole-6-carboxylate

HCID 59625843

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc2c(F)c[nH]c2c1
InChIKey: XEGICFDJGZPFMA-UHFFFAOYSA-N
Molecular formula: C10H8FNO2
Average molar mass: 193.17 g/mol

Names & identifiers

Preferred name: methyl 3-fluoro-1H-indole-6-carboxylate
IUPAC: methyl 3-fluoro-1H-indole-6-carboxylate

Names & synonyms

methyl 3-fluoro-1H-indole-6-carboxylate1252782-39-01H-Indole-6-carboxylic acid, 3-fluoro-, methyl esterSCHEMBL146334SCHEMBL29714408XEGICFDJGZPFMA-UHFFFAOYSA-N

Database identifiers

PubChem CID: 59625843

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 234

Related reactions

16 records

New reaction record

HRID 98838As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160539As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 401724As reactantuspto-grants-2014_06

HRID 403310As productuspto-grants-2014_06

HRID 403311As reactantuspto-grants-2014_06

HRID 409915As productuspto-grants-2014_06

HRID 409916As reactantuspto-grants-2014_06

HRID 468194As reactantuspto-grants-2014_01

Compound notes

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