| CAS Number | 726206-55-9 |
| Catalog Number | AG00FHDU(AGN-PC-01W1HU) |
| Chemical Name | 4-iodo-2-Methoxy-pyridine-3-carboxylic acid |
| IUPAC Name | 4-iodo-2-methoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6INO3/c1-12-6-5(7(10)11)4(8)2-3-9-6/h2-3H,1H3,(H,10,11) |
| InChI Key | QHVXEBCTYMUDIY-UHFFFAOYSA-N |
| MDL Number | MFCD26520771 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | COc1nccc(c1C(=O)O)I |
| Synonyms | 726206-55-9,
4-Iodo-2-methoxypyridine-3-carboxylic acid,
4-Iodo-2-methoxynicotinic acid,
4-iodo-2-methoxy-pyridine-3-carboxylic acid,
SCHEMBL1044983,
4-Iodo-2-methoxy-nicotinic acid,
QHVXEBCTYMUDIY-UHFFFAOYSA-N,
ZINC115106368,
4-iodo-2-methoxy-3-pyridinecarboxylic acid,
CS-0059853,
3-Pyridinecarboxylic acid, 4-iodo-2-methoxy-,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.033g/mol |
| Monoisotopic Mass | 278.939g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number