Basic information
- Standard SMILES
O=C(O)c1ccc(Br)c(OCC2CCCO2)n1- InChIKey
YEKPNDDNEQSPFA-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO4
- Average molar mass
- 302.12 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-(tetrahydro-furan-2-ylmethoxy)-pyridine-2-carboxylic acid
- IUPAC
- 5-bromo-6-(oxolan-2-ylmethoxy)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14152428YEKPNDDNEQSPFA-UHFFFAOYSA-N5-Bromo-6-(tetrahydro-furan-2-ylmethoxy)-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 71087728
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
13 records
Compound notes
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