| CAS Number | 1353878-12-2 |
| Catalog Number | AG00J07N(AGN-PC-0WB0VW) |
| Chemical Name | Ethyl 4,6-dihydroxy-5-iodonicotinate |
| IUPAC Name | ethyl 4-hydroxy-5-iodo-6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C8H8INO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12) |
| InChI Key | NAEVKPUTXWCATO-UHFFFAOYSA-N |
| MDL Number | MFCD20921606 |
| Molecular Formula | C8H8INO4 |
| Molecular Weight | 309.0579 |
| SMILES | IC1(=C(O)N=CC(=C1O)C(=O)OCC) |
| Synonyms | ethyl 4,6-dihydroxy-5-iodopyridine-3-carboxylate,
1353878-12-2,
Ethyl 4,6-dihydroxy-5-iodonicotinate,
ethyldihydroxyiodopyridinecarboxylate,
KS-000027QM,
ZX-RL002864,
MFCD20921606,
ZINC71789046,
AKOS015991559,
FCH1612805,
MCULE-8028748973,
MF-0730,
RP16281,
OR303631,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.059g/mol |
| Monoisotopic Mass | 308.95g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number