2-(Boc-amino)-6-chloropyridine - CAS 159603-71-1

Name: 2-(Boc-amino)-6-chloropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011552
Product Name:	2-(Boc-amino)-6-chloropyridine
CAS:	159603-71-1
Synonyms:	N-(6-chloro-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(6-chloropyridin-2-yl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-(6-chloropyridin-2-yl)carbamate
Description:	2-(Boc-amino)-6-chloropyridine (CAS# 159603-71-1) is used in preparation of Tetrahydro-1,8-naphthyridine compounds as ανβ6 integrin inhibitors useful for treatment.
Molecular Weight:	228.68
Molecular Formula:	C10H13ClN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC(=CC=C1)Cl
InChI:	InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	UEYNRRQJJHZENW-UHFFFAOYSA-N
Boiling Point:	282.2 °C at 760 mmHg
Density:	1.245 g/cm³
MDL:	MFCD09030821
LogP:	3.15500

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2020249079-A1	Shp2 phosphatase allosteric inhibitor	20190614
WO-2020047207-A1	Inhibitors of (alpha-v)(beta-6) integrin	20180829

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.0665554
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.0665554
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7