| CAS Number | 1111638-50-6 |
| Catalog Number | AG0099G5(AGN-PC-0WR2TP) |
| Chemical Name | 4-(3-Iodo-1H-pyrazol-4-yl)pyrimidine |
| IUPAC Name | 4-(5-iodo-1H-pyrazol-4-yl)pyrimidine |
| InChI | InChI=1S/C7H5IN4/c8-7-5(3-11-12-7)6-1-2-9-4-10-6/h1-4H,(H,11,12) |
| InChI Key | UVKFMSYWNWEXLD-UHFFFAOYSA-N |
| MDL Number | MFCD21340228 |
| Molecular Formula | C7H5IN4 |
| Molecular Weight | 272.0459 |
| SMILES | IC1=NNC=C1C1=NC=NC=C1 |
| Synonyms | 4-(3-Iodo-1H-pyrazol-4-yl)pyrimidine,
1111638-50-6,
SCHEMBL13199918,
MFCD21340228,
ZINC202310599,
AS-43113,
4-(3-iodo-1h-pyrazol-4-yl)-pyrimidine,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.049g/mol |
| Monoisotopic Mass | 271.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number