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-Chloro-4-(5-fluoro-2-methyl-4-nitrophenoxy)pyridine

HCID 86641685
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])c(F)cc1Oc1ccnc(Cl)c1
InChIKey
MAEPUEKTDDMABO-UHFFFAOYSA-N
Molecular formula
C12H8ClFN2O3
Average molar mass
282.65 g/mol

Names & identifiers

Preferred name
2-Chloro-4-(5-fluoro-2-methyl-4-nitrophenoxy)pyridine
IUPAC
2-chloro-4-(5-fluoro-2-methyl-4-nitrophenoxy)pyridine

Names & synonyms

1225278-59-0SCHEMBL24113792-chloro-4-(5-fluoro-2-methyl-4-nitrophenoxy)pyridineMAEPUEKTDDMABO-UHFFFAOYSA-NDB-122084

Database identifiers

PubChem CID
86641685

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
329

Related reactions

6 records
New reaction record
HRID 149116 reaction equation
HRID 149116As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 159530 reaction equation
HRID 159530As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 450432 reaction equation
HRID 450432As productuspto-grants-2013_07
HRID 450433 reaction equation
HRID 450433As reactantuspto-grants-2013_07
HRID 2060678 reaction equation
HRID 2060678As productuspto-grants-2012_10
HRID 2060679 reaction equation
HRID 2060679As reactantuspto-grants-2012_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes