3,5-Pyridinedicarboxylic acid, diisopropyl ester
Basic information
- CAS
3737-22-2- Standard SMILES
CC(C)OC(=O)c1cncc(C(=O)OC(C)C)c1- InChIKey
JHKOMVRNWGLUFA-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, diisopropyl ester
- IUPAC
- dipropan-2-yl pyridine-3,5-dicarboxylate
Names & synonyms
3,5-Pyridinedicarboxylic acid, diisopropyl esterDiisopropyl pyridine-3,5-dicarboxylate3737-22-2ENT 17591BRN 04815493,5-Pyridinedicarboxylic acid, bis(1-methylethyl) esterDTXSID401908135-22-04-00140 (Beilstein Handbook Reference)RefChem:272170DTXCID80113304SCHEMBL5933826JHKOMVRNWGLUFA-UHFFFAOYSA-N
Show more names
Di(propan-2-yl) pyridine-3,5-dicarboxylateNS00122524
Database identifiers
- CAS
3737-22-2- PubChem CID
- 62520
- DTXSID
DTXSID40190813- Nikkaji
- J53.903A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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