3-Pyridinecarboxylic acid, 5-chloro-, 1,2-ethanediyl ester
Basic information
- CAS
37744-22-2- Standard SMILES
O=C(OCCOC(=O)c1cncc(Cl)c1)c1cncc(Cl)c1- InChIKey
HBHZENFQYVZGEM-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O4
- Average molar mass
- 341.1 g/mol
- Monoisotopic mass
- 340.0017622
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-chloro-, 1,2-ethanediyl ester
- IUPAC
- 2-(5-chloropyridine-3-carbonyl)oxyethyl 5-chloropyridine-3-carboxylate
Names & synonyms
BRN 04350663-Pyridinecarboxylic acid, 5-chloro-, 1,2-ethanediyl ester1,2-Ethanediol, bis(5-chloronicotinate)37744-22-21,2-Ethanediyl 5-chloro-3-pyridinecarboxylateDTXSID00191184RefChem:282293DTXCID10113675ethane-1,2-diyl bis(5-chloropyridine-3-carboxylate)
Database identifiers
- CAS
37744-22-2- PubChem CID
- 216818
- DTXSID
DTXSID00191184
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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