3-Bromo-2-chloropyridine - CAS 52200-48-3

Catalog:	BB027738
Product Name:	3-Bromo-2-chloropyridine
CAS:	52200-48-3
Synonyms:	3-bromo-2-chloropyridine

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Computed Properties

IUPAC Name:	3-bromo-2-chloropyridine
Description:	3-Bromo-2-chloropyridine (CAS# 52200-48-3) is used as a reactant in preparation of drug-like properties for SAR of dihydrobenzofuran amides as γ-secretase modulators that lower Aβ42 in the brain and avoid P-glycoprotein mediated efflux (1,2).
Molecular Weight:	192.44
Molecular Formula:	C5H3BrClN
Canonical SMILES:	C1=CC(=C(N=C1)Cl)Br
InChI:	InChI=1S/C5H3BrClN/c6-4-2-1-3-8-5(4)7/h1-3H
InChI Key:	HDYNIWBNWMFBDO-UHFFFAOYSA-N
Boiling Point:	97 ℃ / 10 mmHg
Purity:	97.0 %
Density:	1.736 g/cm³
MDL:	MFCD00234007
LogP:	2.49750

Publication Number	Title	Priority Date
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2021195781-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use	20200401
WO-2021195782-A1	Methods of using myt1 inhibitors	20200401
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304

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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.91374
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.91374
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2