5-Bromoquinoline-2-carbonitrile - CAS 1092304-90-9

Catalog:	BB002402
Product Name:	5-Bromoquinoline-2-carbonitrile
CAS:	1092304-90-9
Synonyms:	5-bromo-2-quinolinecarbonitrile; 5-bromoquinoline-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromoquinoline-2-carbonitrile
Description:	5-Bromoquinoline-2-carbonitrile (CAS# 1092304-90-9) is a useful research chemical.
Molecular Weight:	233.06
Molecular Formula:	C10H5BrN2
Canonical SMILES:	C1=CC2=C(C=CC(=N2)C#N)C(=C1)Br
InChI:	InChI=1S/C10H5BrN2/c11-9-2-1-3-10-8(9)5-4-7(6-12)13-10/h1-5H
InChI Key:	JIVIKOIXOUTCTN-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.86898

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
KR-20180094939-A	Polycyclic TLR7 / 8 antagonists and their use in the treatment of immune disorders	20151217
EP-2346830-B1	Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use	20080915
US-2011172256-A1	Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use	20080915

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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.96361
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3