Ethyl [3,3'-bipyridine]-4-carboxylate
Basic information
- CAS
1214376-95-0- Standard SMILES
CCOC(=O)c1ccncc1-c1cccnc1- InChIKey
BLOGGOMCFQQWKL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- Ethyl [3,3'-bipyridine]-4-carboxylate
- IUPAC
- ethyl 3-pyridin-3-ylpyridine-4-carboxylate
Names & synonyms
Ethyl [3,3'-bipyridine]-4-carboxylate1214376-95-0DTXSID601288293Ethyl [3,3a(2)-bipyridine]-4-carboxylate
Database identifiers
- CAS
1214376-95-0- PubChem CID
- 46317751
- DTXSID
DTXSID601288293
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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