Basic information
- Standard SMILES
CCOC(=O)c1ccnc(C2=C(Br)CCC2)c1- InChIKey
HDDLEGXKNVUVGH-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO2
- Average molar mass
- 296.16 g/mol
Names & identifiers
- Preferred name
- 2-(Bromocyclopent-1-enyl)pyridine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(2-bromocyclopenten-1-yl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL5621253HDDLEGXKNVUVGH-UHFFFAOYSA-N2-(bromocyclopent-1-enyl)pyridine-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69508157
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
1 records
Compound notes
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