5-Chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine - CAS 1241675-24-0

Name: 5-Chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069784
Product Name:	5-Chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS:	1241675-24-0
Synonyms:	5-chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine; 5-Chloro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine; 5-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine; 5-Chloro-3-iodo-1-tosyl-7-azaindole

Technical Data

IUPAC Name:	5-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Description:	5-Chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine is used as a reactant in the synthesis of pyrimidine and pyridine derivatives useful in treatment, amelioration or prevention of influenza.
Molecular Weight:	432.66
Molecular Formula:	C14H10N2O2SClI
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Cl)I
InChI:	InChI=1S/C14H10ClIN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18/h2-8H,1H3
InChI Key:	NJVXZTXQZUABTK-UHFFFAOYSA-N
References:	Tan, Xuefei, et al. PCT Int. Appl., WO 2017133667 A1 20170810 (2017).

Complexity:	476
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	431.91962
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	431.91962
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1