HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2,6-Difluoro-4-(pyridin-2-ylmethoxy)-benzoic Acid Methyl Ester

HCID 57685124
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1c(F)cc(OCc2ccccn2)cc1F
InChIKey
LOQFIUAGVHLKBK-UHFFFAOYSA-N
Molecular formula
C14H11F2NO3
Average molar mass
279.24 g/mol

Names & identifiers

Preferred name
2,6-Difluoro-4-(pyridin-2-ylmethoxy)-benzoic Acid Methyl Ester
IUPAC
methyl 2,6-difluoro-4-(pyridin-2-ylmethoxy)benzoate

Names & synonyms

SCHEMBL3276444LOQFIUAGVHLKBK-UHFFFAOYSA-N2,6-Difluoro-4-(pyridin-2-ylmethoxy)-benzoic Acid Methyl Ester

Database identifiers

PubChem CID
57685124

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
318

Related reactions

4 records
New reaction record
HRID 126358 reaction equation
HRID 126358As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 642177 reaction equation
HRID 642177As productuspto-grants-2010_04
HRID 642206 reaction equation
HRID 642206As reactantuspto-grants-2010_04
HRID 690768 reaction equation
HRID 690768As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes