5-fluoro-1H-indole-6-carbonitrile

HCID 67025317

Notes Reactions

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Basic information

Standard SMILES: N#Cc1cc2[nH]ccc2cc1F
InChIKey: GFDDOZARNIAOAT-UHFFFAOYSA-N
Molecular formula: C9H5FN2
Average molar mass: 160.15 g/mol

Names & identifiers

Preferred name: 5-fluoro-1H-indole-6-carbonitrile
IUPAC: 5-fluoro-1H-indole-6-carbonitrile

Names & synonyms

5-fluoro-1H-indole-6-carbonitrile1201149-04-3MFCD030949601H-Indole-6-carbonitrile, 5-fluoro-5-Fluoro-indole-6-carbonitrile5-Fluoroindole-6-carbonitrileSCHEMBL1420716SCHEMBL31200238GFDDOZARNIAOAT-UHFFFAOYSA-NAT31620SY386727F850706

Database identifiers

PubChem CID: 67025317

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 39.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 220

Related reactions

3 records

New reaction record

HRID 1216907As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1512847As productuspto-grants-2012_07

HRID 1512848As reactantuspto-grants-2012_07

Compound notes

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