Ethane-1,2-diyl bis(pyridine-3-carboxylate)
Basic information
- CAS
3612-79-1- Standard SMILES
O=C(OCCOC(=O)c1cccnc1)c1cccnc1- InChIKey
LNACTWXLKXAXJI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- Ethane-1,2-diyl bis(pyridine-3-carboxylate)
- IUPAC
- 2-(pyridine-3-carbonyloxy)ethyl pyridine-3-carboxylate
Names & synonyms
NICOTINIC ACID, ETHYLENE ESTEREthylene glycol dinicotinate3612-79-1OON8Q43ZPSNSC 72775BRN 0027939Ethane-1,2-diyl bis(pyridine-3-carboxylate)UNII-OON8Q43ZPSNSC-72775DTXSID901896964-22-00-00370 (Beilstein Handbook Reference)ETHYLENE GLYCOL, DINICOTINATE
Show more names
3-PYRIDINECARBOXYLIC ACID, 3,3'-(1,2-ETHANEDIYL) ESTERRefChem:138138DTXCID50112187NCIOpen2_003666Ethane-1,2-diyl dinicotinateSCHEMBL25009812SCHEMBL30556174NSC72775
Database identifiers
- CAS
3612-79-1- PubChem CID
- 19221
- DTXSID
DTXSID90189696- UNII
- OON8Q43ZPS
- Nikkaji
- J2.448.434C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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