1,4-Dihydro-3,5-diiodo-4-oxopyridine-2,6-dicarboxylic acid
Basic information
- CAS
74263-51-7- Standard SMILES
O=C(O)c1[nH]c(C(=O)O)c(I)c(=O)c1I- InChIKey
HXICYCRHINUFJM-UHFFFAOYSA-N- Molecular formula
- C7H3I2NO5
- Average molar mass
- 434.91 g/mol
- Monoisotopic mass
- 434.81007
Names & identifiers
- Preferred name
- 1,4-Dihydro-3,5-diiodo-4-oxopyridine-2,6-dicarboxylic acid
- IUPAC
- 3,5-diiodo-4-oxo-1H-pyridine-2,6-dicarboxylic acid
- English name
- 1,4-dihydro-3,5-diiodo-4-oxopyridine-2,6-dicarboxylic acid
- Molecular formula
- C7H3I2NO5
- Molecular weight
- 434.91
Names & synonyms
74263-51-71,4-Dihydro-3,5-diiodo-4-oxopyridine-2,6-dicarboxylic acid3,5-diiodo-4-oxo-1H-pyridine-2,6-dicarboxylic acid3,5-diiodo-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acidEINECS 277-795-8SCHEMBL10371068DTXSID20995782HXICYCRHINUFJM-UHFFFAOYSA-NDB-082710NS000595123,5-Diiodochelidamic acid4-Hydroxy-3,5-diiodopyridine-2,6-dicarboxylic acid
Show more names
1,4-Dihydro-3,5-diiodo-4-oxo-2,6-pyridinedicarboxylic acid2,6-Pyridinedicarboxylic acid, 1,4-dihydro-3,5-diiodo-4-oxo-
Database identifiers
- CAS
74263-51-7- PubChem CID
- 71647
- DTXSID
DTXSID20995782- EC Number
- 277-795-8
- Nikkaji
- J318.943K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 426.5 · 426.5±45.0 °C(Predicted)
- Density
- 2.97 · 2.97±0.1 g/cm3(Predicted)
- pka
- 1.11 · 1.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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