Basic information
- CAS
16837-39-1- Standard SMILES
O=C(OC(=O)c1ccccn1)c1ccccn1- InChIKey
QAZOKVGARKDTKF-UHFFFAOYSA-N- Molecular formula
- C12H8N2O3
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.05349212
Names & identifiers
- Preferred name
- Pyridine-2-carboxylic anhydride
- IUPAC
- pyridine-2-carbonyl pyridine-2-carboxylate
- English name
- pyridine-2-carboxylic anhydride
- Molecular formula
- C12H8N2O3
- Molecular weight
- 228.2
Names & synonyms
Pyridine-2-carboxylic anhydride16837-39-1picolinic anhydridepyridine-2-carbonyl pyridine-2-carboxylate2-Pyridinecarboxylic acid, anhydrideEINECS 240-861-1pyridinecarboxylic anhydride8CN9S8D5VTSCHEMBL1228223SCHEMBL31633615DTXSID20168555pyridine-2-carboxylic acid anhydride
Show more names
Bis(2-pyridinecarboxylic)anhydride
2-Pyridinecarboxylic acid, 2,2'-anhydrideNS00025523
Database identifiers
- CAS
16837-39-1- PubChem CID
- 85608
- DTXSID
DTXSID20168555- UNII
- 8CN9S8D5VT
- EC Number
- 240-861-1
- Nikkaji
- J236.867F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 412.3 · 412.3±20.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 0.42 · 0.42±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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