3-Chloro-2-(3-(trifluoromethyl)phenoxy)pyridine

HCID 18008477

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1cccc(Oc2ncccc2Cl)c1
InChIKey: JHFQIWDOKUTRBA-UHFFFAOYSA-N
Molecular formula: C12H7ClF3NO
Average molar mass: 273.64 g/mol
Monoisotopic mass: 273.016826

Names & identifiers

Preferred name: 3-Chloro-2-(3-(trifluoromethyl)phenoxy)pyridine
IUPAC: 3-chloro-2-[3-(trifluoromethyl)phenoxy]pyridine

Names & synonyms

197565-66-53-Chloro-2-(3-(trifluoromethyl)phenoxy)pyridine3-Chloro-2-[3-(trifluoromethyl)phenoxy]pyridineMFCD32644579SCHEMBL6560226AKOS037649053BS-16435SY317545CS-0161104D81325

Database identifiers

PubChem CID: 18008477

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 275

Related reactions

8 records

New reaction record

HRID 286330As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 443009As productuspto-grants-1999_04

HRID 566582As productuspto-grants-2001_01

HRID 566584As reactantuspto-grants-2001_01

HRID 582253As productuspto-grants-1999_07

HRID 650235As productuspto-grants-2001_08

HRID 988837As productuspto-grants-2003_10

HRID 1075412As productuspto-grants-1999_05

Compound notes

Loading…