5-Bromo-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

HCID 69071391

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1ccc(C#CCCc2ccc(CN3CCCC3)cc2)nc1
InChIKey: RQXQRVOHSYWSRZ-UHFFFAOYSA-N
Molecular formula: C20H21BrN2
Average molar mass: 369.3 g/mol

Names & identifiers

Preferred name: 5-Bromo-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine
IUPAC: 5-bromo-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine

Names & synonyms

SCHEMBL4506550RQXQRVOHSYWSRZ-UHFFFAOYSA-N5-bromo-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

Database identifiers

PubChem CID: 69071391

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 16.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 410

Related reactions

8 records

New reaction record

HRID 271638As productuspto-grants-2008_11

HRID 271639As reactantuspto-grants-2008_11

HRID 312954As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1916530As productuspto-grants-2013_12

HRID 1916531As reactantuspto-grants-2013_12

HRID 1916538As productuspto-grants-2013_12

HRID 1916539As reactantuspto-grants-2013_12

HRID 2124187As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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