3-bromo-5-(3-chloro-5-methoxyphenoxy)Pyridine

HCID 57443607

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 920036-20-0
Standard SMILES: COc1cc(Cl)cc(Oc2cncc(Br)c2)c1
InChIKey: XIKYEUHKEGSBJL-UHFFFAOYSA-N
Molecular formula: C12H9BrClNO2
Average molar mass: 314.56 g/mol
Monoisotopic mass: 312.95052

Names & identifiers

Preferred name: 3-bromo-5-(3-chloro-5-methoxyphenoxy)Pyridine
IUPAC: 3-bromo-5-(3-chloro-5-methoxyphenoxy)pyridine

Names & synonyms

3-bromo-5-(3-chloro-5-methoxyphenoxy)Pyridine920036-20-0Pyridine, 3-bromo-5-(3-chloro-5-methoxyphenoxy)-SCHEMBL3606353DTXSID20726492XIKYEUHKEGSBJL-UHFFFAOYSA-NDA-00871

Database identifiers

CAS: 920036-20-0
PubChem CID: 57443607
DTXSID: DTXSID20726492

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 245

Related reactions

2 records

New reaction record

HRID 311935As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1157397As productuspto-grants-2010_10

Compound notes

Loading…