| CAS Number | 1228666-26-9 |
| Catalog Number | AG00A2R9(AGN-PC-0WAO4E) |
| Chemical Name | 3-(2-Amino-5-iodopyridin-3-yl)propan-1-ol |
| IUPAC Name | 3-(2-amino-5-iodopyridin-3-yl)propan-1-ol |
| InChI | InChI=1S/C8H11IN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,1-3H2,(H2,10,11) |
| InChI Key | YNFARIIDFMCPQJ-UHFFFAOYSA-N |
| MDL Number | MFCD15530276 |
| Molecular Formula | C29H33ClKN3O7S2 |
| Molecular Weight | 674.2695 |
| SMILES | Nc1ncc(cc1CCCO)I |
| Synonyms | 3-(2-Amino-5-iodopyridin-3-yl)propan-1-ol,
1228666-26-9,
AC1Q52VR,
CTK7E1125,
DTXSID80673594,
2647AD,
MFCD15530276,
ZINC39961308,
AKOS015854981,
TR-071280,
A-6263,
3-(2-Amino-5-iodopyridin-3-yl)propan-1-ol, AldrichCPR,
C8H11IN2O,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.093g/mol |
| Monoisotopic Mass | 277.992g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number