6-Bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline - CAS 1781658-50-1

Catalog:	BB013410
Product Name:	6-Bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CAS:	1781658-50-1
Synonyms:	6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline; 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
Description:	6-Bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline (CAS# 1781658-50-1) is a useful research chemical.
Molecular Weight:	230.08
Molecular Formula:	C9H9BrFN
Canonical SMILES:	C1CNCC2=C1C(=C(C=C2)Br)F
InChI:	InChI=1S/C9H9BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChI Key:	AUBCNXWUINQWCX-UHFFFAOYSA-N
LogP:	2.56270

Publication Number	Title	Priority Date
WO-2021028645-A1	Plasma kallikrein inhibitors	20190809
WO-2021028649-A1	Plasma kallikrein inhibitors	20190809
EP-3463362-A1	Substituted tetrahydroisoquinoline compounds useful as gpr120 agonists	20160525
US-2019161448-A1	Substituted tetrahydroisoquinoline compounds useful as gpr120 agonists	20160525
WO-2017205193-A1	Substituted tetrahydroisoquinoline compounds useful as gpr120 agonists	20160525

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.99024
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.99024
Rotatable Bond Count:	0
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1