3-Iodo-5-methyl-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid - CAS 1261365-69-8
Catalog: |
BB060696 |
Product Name: |
3-Iodo-5-methyl-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid |
CAS: |
1261365-69-8 |
Synonyms: |
3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carboxylic acid; 3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid; 1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid |
IUPAC Name: | 1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid |
Description: | 3-Iodo-5-methyl-1-(phenylsulfonyl)-1h-pyrrolo-[2,3-b]pyridine-2-carboxylic acid |
Molecular Weight: | 442.23 |
Molecular Formula: | C15H11IN2O4S |
Canonical SMILES: | CC1=CC2=C(N=C1)N(C(=C2I)C(=O)O)S(=O)(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H11IN2O4S/c1-9-7-11-12(16)13(15(19)20)18(14(11)17-8-9)23(21,22)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20) |
InChI Key: | RSGIKNFXDNJRSJ-UHFFFAOYSA-N |
Complexity: | 558 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 441.94843 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 441.94843 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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