5-Chloroisoquinoline-8-carbonitrile - CAS 1256463-60-1

Catalog:	BB006173
Product Name:	5-Chloroisoquinoline-8-carbonitrile
CAS:	1256463-60-1
Synonyms:	5-chloro-8-isoquinolinecarbonitrile; 5-chloroisoquinoline-8-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-chloroisoquinoline-8-carbonitrile
Description:	5-Chloroisoquinoline-8-carbonitrile (CAS# 1256463-60-1) is a useful research chemical compound.
Molecular Weight:	188.61
Molecular Formula:	C10H5ClN2
Canonical SMILES:	C1=CC(=C2C=CN=CC2=C1C#N)Cl
InChI:	InChI=1S/C10H5ClN2/c11-10-2-1-7(5-12)9-6-13-4-3-8(9)10/h1-4,6H
InChI Key:	OVKVTVPYKXBVAT-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3188730-A1	Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2	20140905
EP-3188730-B1	Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2	20140905
US-2017273966-A1	Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2	20140905
US-9877957-B2	Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2	20140905
WO-2016036636-A1	Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2	20140905

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[618-40-6]
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[865774-78-3]
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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:	188.0141259
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4