3-(Benzyloxy)-5-bromo-2-chloropyridine - CAS 891785-18-5

Catalog:	BB039364
Product Name:	3-(Benzyloxy)-5-bromo-2-chloropyridine
CAS:	891785-18-5
Synonyms:	5-bromo-2-chloro-3-phenylmethoxypyridine; 5-bromo-2-chloro-3-phenylmethoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-3-phenylmethoxypyridine
Description:	3-(Benzyloxy)-5-bromo-2-chloropyridine (CAS# 891785-18-5 ) is a useful research chemical.
Molecular Weight:	298.56
Molecular Formula:	C12H9BrClNO
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC(=CN=C2Cl)Br
InChI:	InChI=1S/C12H9BrClNO/c13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:	CKSJWQDNIXGSNR-UHFFFAOYSA-N
LogP:	4.07650

Publication Number	Title	Priority Date
AU-2018345221-A1	Nitrogen-containing heteroaryl compound, and pharmaceutical use thereof	20171004
CA-3074989-A1	Nitrogen-containing heteroaryl compound and pharmaceutical use thereof	20171004
CN-111148735-A	Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof	20171004
JP-2019065009-A	Nitrogen-containing heteroaryl compound and its pharmaceutical use	20171004
KR-20200064101-A	Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof	20171004

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Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	296.9556
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.9556
Rotatable Bond Count:	3
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4