5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid - CAS 916326-81-3
Catalog: |
BB040292 |
Product Name: |
5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
CAS: |
916326-81-3 |
Synonyms: |
5-bromo-1-methyl-3-pyrazolo[3,4-b]pyridinecarboxylic acid; 5-bromo-1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid |
IUPAC Name: | 5-bromo-1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid |
Description: | 5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CAS# 916326-81-3) is a useful research chemical. |
Molecular Weight: | 256.059 |
Molecular Formula: | C8H6BrN3O2 |
Canonical SMILES: | CN1C2=NC=C(C=C2C(=N1)C(=O)O)Br |
InChI: | InChI=1S/C8H6BrN3O2/c1-12-7-5(2-4(9)3-10-7)6(11-12)8(13)14/h2-3H,1H3,(H,13,14) |
InChI Key: | QTWVTVFZJSQFNZ-UHFFFAOYSA-N |
LogP: | 1.42900 |
Publication Number | Title | Priority Date |
US-2009048249-A1 | 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders | 20050531 |
US-7541367-B2 | 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders | 20050531 |
WO-2006130673-A1 | 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders | 20050531 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.96434 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.96434 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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