Basic information
- CAS
99970-78-2- Standard SMILES
Nc1cc(=O)c(N=Nc2c(I)cc(I)c(C(=O)O)c2I)c(N)[nH]1- InChIKey
YWLBBCDGLUBCMB-UHFFFAOYSA-N- Molecular formula
- C12H8I3N5O3
- Average molar mass
- 650.94 g/mol
- Monoisotopic mass
- 650.7761
Names & identifiers
- Preferred name
- 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid
- IUPAC
- 3-[(2,6-diamino-4-oxo-1H-pyridin-3-yl)diazenyl]-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 05011533-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid2,4,6-Triiodo-3-(2,6-diamino-4-hydroxypyridylazo)benzoic acidBENZOIC ACID, 3-(2,6-DIAMINO-4-HYDROXY-3-PYRIDYLAZO)-2,4,6-TRIIODO-99970-78-2
Database identifiers
- CAS
99970-78-2- PubChem CID
- 57590
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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