2-Bromo-5-cyanopyridine - CAS 139585-70-9

Catalog:	BB008961
Product Name:	2-Bromo-5-cyanopyridine
CAS:	139585-70-9
Synonyms:	6-bromo-3-pyridinecarbonitrile; 6-bromopyridine-3-carbonitrile

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Computed Properties

IUPAC Name:	6-bromopyridine-3-carbonitrile
Description:	2-Bromo-5-cyanopyridine (CAS# 139585-70-9) is a useful research chemical.
Molecular Weight:	183.01
Molecular Formula:	C6H3BrN2
Canonical SMILES:	C1=CC(=NC=C1C#N)Br
InChI:	InChI=1S/C6H3BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChI Key:	XHYGUDGTUJPSNX-UHFFFAOYSA-N
Boiling Point:	261.6 °C at760 mmHg
Density:	1.72 g/cm³
MDL:	MFCD00234141
LogP:	1.71578

Publication Number	Title	Priority Date
CN-113307765-A	Pyridine methylamine compound and preparation method thereof	20210524
CN-111253443-A	Preparation method and application of electroblotting group modified cyclometalated iridium complex	20200325
CN-111253443-B	Preparation method and application of electroblotting group modified cyclometalated iridium complex	20200325
JP-2021138858-A	Additives for rubber, rubber compositions, manufacturing methods of rubber compositions, tires and rubber belts	20200306
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123

PMID	Publication Date	Title	Journal
20403703	20100515	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles	Bioorganic & medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.94796
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6