6-(4-Fluorophenoxymethyl)-pyridine-3-carbaldehyde

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Basic information

Standard SMILES: O=Cc1ccc(COc2ccc(F)cc2)nc1
InChIKey: MIPOGIYRJTXMNV-UHFFFAOYSA-N
Molecular formula: C13H10FNO2
Average molar mass: 231.22 g/mol

Names & identifiers

Preferred name: 6-(4-Fluorophenoxymethyl)-pyridine-3-carbaldehyde
IUPAC: 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde

Names & synonyms

6-(4-Fluorophenoxymethyl)-pyridine-3-carbaldehydeSCHEMBL509942MIPOGIYRJTXMNV-UHFFFAOYSA-N936343-54-3DB-1241206-(4-Fluoro-phenoxymethyl)-pyridine-3-carbaldehyde

Database identifiers

PubChem CID: 59255367

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 242

Related reactions

12 records

New reaction record

HRID 77994As productuspto-grants-2014_09

HRID 77995As reactantuspto-grants-2014_09

HRID 640277As productuspto-grants-2010_04

HRID 640278As reactantuspto-grants-2010_04

HRID 689108As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1138836As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1691100As productuspto-grants-2012_04

HRID 1691101As reactantuspto-grants-2012_04

Compound notes

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