Ethyl 2-(5-bromomethyl-2-pyridinyl)benzoate

HCID 19976701

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1ccccc1-c1ccc(CBr)cn1
InChIKey: SWDWDYOYHVBMJL-UHFFFAOYSA-N
Molecular formula: C15H14BrNO2
Average molar mass: 320.18 g/mol

Names & identifiers

Preferred name: Ethyl 2-(5-bromomethyl-2-pyridinyl)benzoate
IUPAC: ethyl 2-[5-(bromomethyl)-2-pyridinyl]benzoate

Names & synonyms

SCHEMBL8841609SWDWDYOYHVBMJL-UHFFFAOYSA-Nethyl 2-(5-bromomethyl-2-pyridinyl)benzoate

Database identifiers

PubChem CID: 19976701

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 298

Related reactions

8 records

New reaction record

HRID 192117As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 466199As productuspto-grants-1992_10

HRID 466200As reactantuspto-grants-1992_10

HRID 692685As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 864455As productuspto-grants-1996_10

HRID 864456As reactantuspto-grants-1996_10

HRID 1450490As productuspto-grants-1997_02

HRID 1450491As reactantuspto-grants-1997_02

Compound notes

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