Basic information
- Standard SMILES
COC(=O)c1cnc(OC2CCCC2)c(Br)c1- InChIKey
CCHIZMXOHAPQSD-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO3
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 299.01571
Names & identifiers
- Preferred name
- Methyl 5-bromo-6-(cyclopentyloxy)nicotinate
- IUPAC
- methyl 5-bromo-6-cyclopentyloxypyridine-3-carboxylate
Names & synonyms
methyl 5-bromo-6-(cyclopentyloxy)nicotinate912454-26-3methyl 5-bromo-6-cyclopentyloxynicotinateSCHEMBL924247CCHIZMXOHAPQSD-UHFFFAOYSA-NMFCD26400056DB-320040A1-23717methyl 5-bromo-6-(cyclopentoxy)pyridine-3-carboxylatemethyl 5-bromo-6-cyclopentyloxypyridine-3-carboxylate5-Bromo-6-cyclopentyloxy-3-pyridinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66844699
Properties
Computed structural properties
- XLogP
- 3
- 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
- 268
Related reactions
10 records
Compound notes
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