2-(4-Bromo-benzyloxy)-5-methyl-pyridine

HCID 59255449

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(OCc2ccc(Br)cc2)nc1
InChIKey: BEOYFDKXKFOQOG-UHFFFAOYSA-N
Molecular formula: C13H12BrNO
Average molar mass: 278.14 g/mol
Monoisotopic mass: 277.01023

Names & identifiers

Preferred name: 2-(4-Bromo-benzyloxy)-5-methyl-pyridine
IUPAC: 2-[(4-bromophenyl)methoxy]-5-methylpyridine

Names & synonyms

SCHEMBL510525BEOYFDKXKFOQOG-UHFFFAOYSA-N2-(4-Bromo-benzyloxy)-5-methyl-pyridine

Database identifiers

PubChem CID: 59255449

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 204

Related reactions

12 records

New reaction record

HRID 77901As productuspto-grants-2014_09

HRID 77902As reactantuspto-grants-2014_09

HRID 640184As productuspto-grants-2010_04

HRID 640185As reactantuspto-grants-2010_04

HRID 817300As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 958089As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1691008As productuspto-grants-2012_04

HRID 1691009As reactantuspto-grants-2012_04

Compound notes

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