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4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine - CAS 1228665-75-5

Catalog:	BB005549
Product Name:	4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS:	1228665-75-5
Synonyms:	1-(benzenesulfonyl)-4-chloro-5-fluoropyrrolo[2,3-b]pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(benzenesulfonyl)-4-chloro-5-fluoropyrrolo[2,3-b]pyridine
Description:	4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS# 1228665-75-5) is a useful research chemical.
Molecular Weight:	310.73
Molecular Formula:	C13H8ClFN2O2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)F)Cl
InChI:	InChI=1S/C13H8ClFN2O2S/c14-12-10-6-7-17(13(10)16-8-11(12)15)20(18,19)9-4-2-1-3-5-9/h1-8H
InChI Key:	QSUVWTPAECZSPS-UHFFFAOYSA-N
MDL:	MFCD16628258
LogP:	4.14660

Publication Number	Title	Priority Date
AU-2014231567-A1	Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors	20130314
AU-2014234077-A1	Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors	20130314
EP-2970264-A1	Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors	20130314
EP-2970278-A1	Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors	20130314
JP-2016514113-A	Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitor	20130314

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Complexity:	450
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.9979045
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.9979045
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2