| CAS Number | 1189816-87-2 |
| Catalog Number | AG00HEUP(AGN-PC-0WNNDQ) |
| Chemical Name | methyl 5-hydroxy-6-iodopyridine-3-carboxylate |
| IUPAC Name | methyl 5-hydroxy-6-iodopyridine-3-carboxylate |
| InChI | InChI=1S/C7H6INO3/c1-12-7(11)4-2-5(10)6(8)9-3-4/h2-3,10H,1H3 |
| InChI Key | UKOKYRURRVVDHR-UHFFFAOYSA-N |
| MDL Number | MFCD27942050 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | COC(=O)c1cnc(c(c1)O)I |
| Synonyms | methyl 5-hydroxy-6-iodopyridine-3-carboxylate,
methyl 5-hydroxy-6-iodonicotinate,
1189816-87-2,
SCHEMBL987839,
UKOKYRURRVVDHR-UHFFFAOYSA-N,
MFCD27942050,
ZINC114976411,
AS-52014,
CS-0048977,
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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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