2-bromo-4-(4-pyridinylmethyl)Benzenamine

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Basic information

Standard SMILES: Nc1ccc(Cc2ccncc2)cc1Br
InChIKey: SLBDHCKWHDQGLS-UHFFFAOYSA-N
Molecular formula: C12H11BrN2
Average molar mass: 263.13 g/mol

Names & identifiers

Preferred name: 2-bromo-4-(4-pyridinylmethyl)Benzenamine
IUPAC: 2-bromo-4-(pyridin-4-ylmethyl)aniline

Names & synonyms

2-bromo-4-(4-pyridinylmethyl)BenzenamineSCHEMBL4042278SLBDHCKWHDQGLS-UHFFFAOYSA-N4-(4-amino-3-bromobenzyl)pyridine2-bromo-4-(4-pyridylmethyl)anilineAKOS005061535DS-016358[2-bromo-4-(pyridin-4-ylmethyl)phenyl]amine

Database identifiers

PubChem CID: 21865645

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 192

Related reactions

7 records

New reaction record

HRID 188701As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1417245As productuspto-grants-1999_03

HRID 2209462As productuspto-grants-1995_10

HRID 2209464As reactantuspto-grants-1995_10

HRID 2209470As reactantuspto-grants-1995_10

HRID 2328109As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2347830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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