6-Bromo-3H-imidazo[4,5-b]pyridine-7-carboxylic Acid - CAS 117888-98-9
Catalog: |
BB071888 |
Product Name: |
6-Bromo-3H-imidazo[4,5-b]pyridine-7-carboxylic Acid |
CAS: |
117888-98-9 |
Synonyms: |
6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID; 6-bromo-1H-imidazo[4,5-b]pyridine-7-carboxylic acid |
IUPAC Name: | 6-bromo-1H-imidazo[4,5-b]pyridine-7-carboxylic acid |
Molecular Weight: | 242.03 |
Molecular Formula: | C7H4BrN3O2 |
Canonical SMILES: | C1=C(C(=C2C(=N1)N=CN2)C(=O)O)Br |
InChI: | InChI=1S/C7H4BrN3O2/c8-3-1-9-6-5(10-2-11-6)4(3)7(12)13/h1-2H,(H,12,13)(H,9,10,11) |
InChI Key: | FMUPBLXDBFTANV-UHFFFAOYSA-N |
References: | Kenda, B., et al. PCT Int. Appl. WO 2006128693 A2 20061207. Dec 7, 2006. |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.94869 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.94869 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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