1-(5-Chloro-2-nitrophenyl)-1H-[1,2,3]triazolo[4,5-b]pyridine

HCID 57538962

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(Cl)cc1-n1nnc2ncccc21
InChIKey: YDCRIZYPZCLABN-UHFFFAOYSA-N
Molecular formula: C11H6ClN5O2
Average molar mass: 275.65 g/mol
Monoisotopic mass: 275.0210021

Names & identifiers

Preferred name: 1-(5-Chloro-2-nitrophenyl)-1H-[1,2,3]triazolo[4,5-b]pyridine
IUPAC: 1-(5-chloro-2-nitrophenyl)triazolo[4,5-b]pyridine

Names & synonyms

SCHEMBL2972877SCHEMBL13908073YDCRIZYPZCLABN-UHFFFAOYSA-N1-(5-chloro-2-nitrophenyl)-1 H-[1,2,3]triazolo[4,5-b]pyridine1-(5-Chloro-2-nitrophenyl)-1H-[1,2,3]triazolo[4,5-b]pyridine

Database identifiers

PubChem CID: 57538962

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 89.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 352

Related reactions

8 records

New reaction record

HRID 75989As reactantuspto-grants-2014_09

HRID 218191As reactantuspto-grants-2012_06

HRID 297947As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 502811As reactantuspto-grants-2010_08

HRID 502832As productuspto-grants-2010_08

HRID 502833As reactantuspto-grants-2010_08

HRID 945187As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1480898As reactantuspto-grants-2016_08

Compound notes

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