Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(CBr)cn2)CCCC1- InChIKey
RPTJOMTVLWYWIY-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.05209
Names & identifiers
- Preferred name
- 1-(5-Bromomethylpyridin-2-yl)cyclopentanecarboxlic acid ethyl ester
- IUPAC
- ethyl 1-[5-(bromomethyl)-2-pyridinyl]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL7475596RPTJOMTVLWYWIY-UHFFFAOYSA-N1-(5-bromomethylpyridin-2-yl)cyclopentanecarboxlic acid ethyl ester
Database identifiers
- PubChem CID
- 70103586
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
3 records
Compound notes
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