7-(2-Fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine

HCID 59424682

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(Oc2ccnc3ccsc23)c(F)c1
InChIKey: YWIZJSODCFXCBY-UHFFFAOYSA-N
Molecular formula: C13H7FN2O3S
Average molar mass: 290.27 g/mol
Monoisotopic mass: 290.01614143

Names & identifiers

Preferred name: 7-(2-Fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
IUPAC: 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine

Names & synonyms

SCHEMBL307534SCHEMBL27869173YWIZJSODCFXCBY-UHFFFAOYSA-N7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine

Database identifiers

PubChem CID: 59424682

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 96.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 368

Related reactions

10 records

New reaction record

HRID 114007As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 317959As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 418564As productuspto-grants-2012_01

HRID 418565As reactantuspto-grants-2012_01

HRID 500824As productuspto-grants-2010_08

HRID 1261263As productuspto-grants-2013_06

HRID 1545633As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1710965As productuspto-grants-2010_09

Compound notes

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