| CAS Number | 1350475-30-7 |
| Catalog Number | AG00HTUN(AGN-PC-0WG3XK) |
| Chemical Name | 4-(3-iodo-1H-pyrazol-1-yl)-2-methoxypyridine |
| IUPAC Name | 4-(3-iodopyrazol-1-yl)-2-methoxypyridine |
| InChI | InChI=1S/C9H8IN3O/c1-14-9-6-7(2-4-11-9)13-5-3-8(10)12-13/h2-6H,1H3 |
| InChI Key | PAXYVCGSOVDLFG-UHFFFAOYSA-N |
| MDL Number | MFCD28359742 |
| Molecular Formula | C9H8IN3O |
| Molecular Weight | 301.0838 |
| SMILES | COc1cc(ccn1)-n1ccc(I)n1 |
| Synonyms | 1350475-30-7,
4-(3-Iodo-pyrazol-1-yl)-2-methoxy-pyridine,
4-(3-Iodo-1H-pyrazol-1-yl)-2-methoxypyridine,
4-(3-iodopyrazol-1-yl)-2-methoxypyridine,
SCHEMBL15825472,
PAXYVCGSOVDLFG-UHFFFAOYSA-N,
MFCD28359742,
ZINC96032037,
AKOS027255552,
4-(3-iodopyrazol-1-yl)-2-methoxy-pyridine,
CS-0038809,
Pyridine, 4-(3-iodo-1H-pyrazol-1-yl)-2-methoxy-,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.087g/mol |
| Monoisotopic Mass | 300.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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