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3-Bromo-5-chloro-6-azaindole

3-Bromo-5-chloro-6-azaindole - CAS 1167056-96-3

Catalog:	BB003805
Product Name:	3-Bromo-5-chloro-6-azaindole
CAS:	1167056-96-3
Synonyms:	3-bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine; 3-bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
Description:	3-Bromo-5-chloro-6-azaindole (CAS# 1167056-96-3) is a useful research chemical.
Molecular Weight:	231.48
Molecular Formula:	C7H4BrClN2
Canonical SMILES:	C1=C2C(=CNC2=CN=C1Cl)Br
InChI:	InChI=1S/C7H4BrClN2/c8-5-2-10-6-3-11-7(9)1-4(5)6/h1-3,10H
InChI Key:	AACITGQBOLOMOP-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.97880

Publication Number	Title	Priority Date
US-2018155349-A1	Tyk2 inhibitors and uses thereof	20161014
AU-2013302725-A1	4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof	20120815
CA-2881688-A1	4-heteroaryl substituted benzoic acid compounds as rorgammat inhibitors and uses thereof	20120815
EP-2884981-A2	4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF	20120815
EP-2884981-B1	4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF	20120815

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Related Functional Groups

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.92464
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.92464
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6