Basic information
- Standard SMILES
COC(=O)C1CCC(Oc2ccc(Br)cn2)C1- InChIKey
BQOHQWYVXNOIDR-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO3
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 299.01571
Names & identifiers
- Preferred name
- Methyl 3-(5-bromopyridin-2-yloxy)cyclopentane carboxylate
- IUPAC
- methyl 3-[(5-bromo-2-pyridinyl)oxy]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL379197BQOHQWYVXNOIDR-UHFFFAOYSA-Nmethyl 3-(5-bromopyridin-2-yloxy)cyclopentane carboxylate
Database identifiers
- PubChem CID
- 58577907
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
1 records
Compound notes
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