5-[5-bromo-4-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylpyridine

HCID 22019229

Notes Reactions

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Basic information

Standard SMILES: Brc1ccccc1-n1c(Br)nnc1-c1ccc(-c2ccccc2)nc1
InChIKey: YULWBJDWPQGLTI-UHFFFAOYSA-N
Molecular formula: C19H12Br2N4
Average molar mass: 456.1 g/mol

Names & identifiers

Preferred name: 5-[5-bromo-4-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylpyridine
IUPAC: 5-[5-bromo-4-(2-bromophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine

Names & synonyms

SCHEMBL5832315YULWBJDWPQGLTI-UHFFFAOYSA-N5-[5-bromo-4-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylpyridine

Database identifiers

PubChem CID: 22019229

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 432

Related reactions

7 records

New reaction record

HRID 6922As productuspto-grants-2006_08

HRID 6930As reactantuspto-grants-2006_08

HRID 159562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 951208As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1227191As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1797113As productuspto-grants-2006_04

HRID 1797117As reactantuspto-grants-2006_04

Compound notes

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