5-Bromo-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid - CAS 1246088-41-4
Catalog: |
BB071256 |
Product Name: |
5-Bromo-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid |
CAS: |
1246088-41-4 |
Synonyms: |
5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carboxylic acid; 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-2-carboxylic acid; 5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
IUPAC Name: | 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-2-carboxylic acid |
Description: | 5-Bromo-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid |
Molecular Weight: | 381.2 |
Molecular Formula: | C14H9BrN2O4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC(=CN=C32)Br)C(=O)O |
InChI: | InChI=1S/C14H9BrN2O4S/c15-10-6-9-7-12(14(18)19)17(13(9)16-8-10)22(20,21)11-4-2-1-3-5-11/h1-8H,(H,18,19) |
InChI Key: | PJYCZUYUVLBGRU-UHFFFAOYSA-N |
Complexity: | 530 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 379.94664 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 379.94664 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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