2-Iodo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid - CAS 2171314-23-9
Catalog: |
BB051404 |
Product Name: |
2-Iodo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid |
CAS: |
2171314-23-9 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 2-iodo-7-methyl- |
IUPAC Name: | 2-iodo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid |
Molecular Weight: | 303.06 |
Molecular Formula: | C8H6IN3O2 |
Canonical SMILES: | CC1=CC(=NC2=CC(=NN12)I)C(=O)O |
InChI: | InChI=1S/C8H6IN3O2/c1-4-2-5(8(13)14)10-7-3-6(9)11-12(4)7/h2-3H,1H3,(H,13,14) |
InChI Key: | UNURBXOPAMNZCO-UHFFFAOYSA-N |
Purity: | ≥95% |
Density: | 2.23±0.1 g/cm3 (Predicted) |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.95047 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.95047 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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