5-Bromo-3-chloropyridine-2-carbonitrile - CAS 945557-04-0

Catalog:	BB041418
Product Name:	5-Bromo-3-chloropyridine-2-carbonitrile
CAS:	945557-04-0
Synonyms:	5-bromo-3-chloro-2-pyridinecarbonitrile; 5-bromo-3-chloropyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-3-chloropyridine-2-carbonitrile
Description:	5-Bromo-3-chloropyridine-2-carbonitrile (CAS# 945557-04-0) is a useful research chemical.
Molecular Weight:	217.45
Molecular Formula:	C6H2BrClN2
Canonical SMILES:	C1=C(C(=NC=C1Br)C#N)Cl
InChI:	InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChI Key:	SIYPZKHSXDFDRA-UHFFFAOYSA-N
Boiling Point:	289 °C at 760 mmHg
Density:	1.85 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD12827550
LogP:	2.36918

Publication Number	Title	Priority Date
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
CN-113087704-A	Preparation method and application of protein degradation agent compound	20191223
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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.90899
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.90899
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2