Iodomethamate
Basic information
- CAS
1951-53-7- Standard SMILES
Cn1c(C(=O)O)c(I)c(=O)c(I)c1C(=O)O- InChIKey
QXXSPCOLSLNNNE-UHFFFAOYSA-N- Molecular formula
- C8H5I2NO5
- Average molar mass
- 448.94 g/mol
- Monoisotopic mass
- 448.82572
Names & identifiers
- Preferred name
- Iodomethamate
- IUPAC
- 3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylic acid
- English name
- 1,4-dihydro-3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylic acid
- Molecular formula
- C8H5I2NO5
- Molecular weight
- 448.93794
Names & synonyms
Iodomethamate1951-53-71,4-Dihydro-3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylic acid7ZB9KVX88IUroselectan BUNII-7ZB9KVX88I3,5-diiodo-1-methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acidEINECS 217-774-2SCHEMBL3837093CHEMBL2110859DTXSID801731651,4-dihydro-3,5-diiodo-1-methyl-4-oxo-2,6-pyridinedicarboxylic acid
Show more names
Iodomethamic acidDiiodo-N-methylchelidamic acid
NS00026364Q27269068N-methyl-3,5-diiodo-4-pyridone-2,6-dicarboxylic acid
Database identifiers
- CAS
1951-53-7- PubChem CID
- 68212
- DTXSID
DTXSID80173165- ChEMBL
CHEMBL2110859- UNII
- 7ZB9KVX88I
- EC Number
- 217-774-2
- Nikkaji
- J7.830A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- FDA UNII
- 7 ZB9KVX88I · 7ZB9KVX88I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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