2,6,7-Trichloro-3-pyridin-2-yl-quinoxaline

HCID 18549031

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1cc2nc(Cl)c(-c3ccccn3)nc2cc1Cl
InChIKey: RCOWXJLLUDERTK-UHFFFAOYSA-N
Molecular formula: C13H6Cl3N3
Average molar mass: 310.6 g/mol

Names & identifiers

Preferred name: 2,6,7-Trichloro-3-pyridin-2-yl-quinoxaline
IUPAC: 2,6,7-trichloro-3-pyridin-2-ylquinoxaline

Names & synonyms

SCHEMBL7236265RCOWXJLLUDERTK-UHFFFAOYSA-N2,6,7-trichloro-3-pyridin-2-yl-quinoxaline

Database identifiers

PubChem CID: 18549031

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 318

Related reactions

11 records

New reaction record

HRID 319046As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 830573As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 832149As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 961482As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1266139As reactantuspto-grants-2003_04

HRID 1266140As reactantuspto-grants-2003_04

HRID 1266141As reactantuspto-grants-2003_04

HRID 1266142As reactantuspto-grants-2003_04

Compound notes

Loading…