5-Chloro-6-iodo-1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid - CAS 1246088-58-3
Catalog: |
BB070233 |
Product Name: |
5-Chloro-6-iodo-1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
CAS: |
1246088-58-3 |
Synonyms: |
5-Chloro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid; 5-Chloro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylicacid; 5-Chloro-6-iodo-7H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
IUPAC Name: | 5-chloro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
Description: | 5-Chloro-6-iodo-1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
Molecular Weight: | 322.49 |
Molecular Formula: | C8H4ClIN2O2 |
Canonical SMILES: | C1=CNC2=NC(=C(C(=C21)C(=O)O)Cl)I |
InChI: | InChI=1S/C8H4ClIN2O2/c9-5-4(8(13)14)3-1-2-11-7(3)12-6(5)10/h1-2H,(H,11,12)(H,13,14) |
InChI Key: | SBHVWSMYWJTPSU-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.9006 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.9006 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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