3-Iodo-5-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid - CAS 1458593-85-5
Catalog: |
BB052379 |
Product Name: |
3-Iodo-5-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
CAS: |
1458593-85-5 |
Synonyms: |
3-iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylicacid |
IUPAC Name: | 3-iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
Molecular Weight: | 303.06 |
Molecular Formula: | C8H6IN3O2 |
Canonical SMILES: | CC1=NC2=C(C=NN2C(=C1)C(=O)O)I |
InChI: | InChI=1S/C8H6IN3O2/c1-4-2-6(8(13)14)12-7(11-4)5(9)3-10-12/h2-3H,1H3,(H,13,14) |
InChI Key: | RYXMFAYTCQKUGB-UHFFFAOYSA-N |
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: | 1.2 |
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