| CAS Number | 1956366-51-0 |
| Catalog Number | AG01DIP3 |
| Chemical Name | 6-Iodo-5-methoxynicotinic acid |
| IUPAC Name | 6-iodo-5-methoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6INO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11) |
| InChI Key | LGTRHYSEFXUPHI-UHFFFAOYSA-N |
| MDL Number | MFCD29917108 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | COc1cc(cnc1I)C(O)=O |
| Synonyms | 6-Iodo-5-methoxynicotinic acid,
1956366-51-0,
SCHEMBL18339776,
MFCD29917108,
ZINC306145211,
TZ000976,
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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 |
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Certificate of Analysis
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