Ethyl 5-(bromomethyl)pyrazine-2-carboxylate

HCID 22050280

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1cnc(CBr)cn1
InChIKey: VYKPZQWIAGNOKA-UHFFFAOYSA-N
Molecular formula: C8H9BrN2O2
Average molar mass: 245.07 g/mol
Monoisotopic mass: 243.98474

Names & identifiers

Preferred name: Ethyl 5-(bromomethyl)pyrazine-2-carboxylate
IUPAC: ethyl 5-(bromomethyl)pyrazine-2-carboxylate

Names & synonyms

ethyl 5-(bromomethyl)pyrazine-2-carboxylate586378-30-5SCHEMBL1644358VYKPZQWIAGNOKA-UHFFFAOYSA-NDA-33823Ethyl 5-(bromomethyl)-2-pyrazinecarboxylate

Database identifiers

PubChem CID: 22050280

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 178

Related reactions

11 records

New reaction record

HRID 120119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 173231As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 458430As productuspto-grants-2007_03

HRID 936510As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1832002As reactantuspto-grants-2006_06

HRID 1832031As reactantuspto-grants-2006_06

HRID 1867006As reactantuspto-grants-2009_12

HRID 1867042As reactantuspto-grants-2009_12

Compound notes

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